A0A5K4FAI6_SCHMA Loading...

G_PROTEIN_RECEP_F3_4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 927 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.5Very low37.4Very low248 Ų248110.3 Ų110.3100%1.22259%0.587SS**  0142.70-71.7158.3168.800108.1
2T25.3Very low39.3Very low112 Ų112104.1 Ų104.169%0.68755%0.552SS**  trans-85.8146.9178.440.70000111.2N4 G5T2-N4 PolarHBondContact O-N 2.93Å; T2-N4 VanDerWaalsContact O-N 3.17Å; T2-G5 PolarHBondContact O-N 2.94Å
3P29.8Very low40.7Very low113 Ų113106.6 Ų106.673%0.73456%0.555SS**THydrogen-bonded Turntrans-62.3-27.3-171.722.8-33.5000113.9G5 H6P3-G5 PolarHBondContact O-N 3.03Å; P3-G5 VanDerWaalsContact O-N 3.13Å; P3-H6 PolarHBondContact O-N 3.48Å
4N33.6Very low41.8Very low119 Ų119100.2 Ų100.264%0.63652%0.522SS*.THydrogen-bonded Turntrans-62.5-20.4-179.4-57.918.1000113.6T2 H6 L7T2-N4 PolarHBondContact O-N 2.93Å; T2-N4 VanDerWaalsContact O-N 3.17Å; N4-H6 VanDerWaalsContact C-N 3.29Å; N4-H6 PolarHBondContact O-N 3.16Å; N4-L7 PolarHBondContact O-N 3.08Å
5G31.3Very low43.2Very low30 Ų3093.8 Ų93.831%0.30949%0.488SS..Hα-helixtrans-62.9-31.5-17800000114T2 P3 L7 I9T2-G5 PolarHBondContact O-N 2.94Å; P3-G5 PolarHBondContact O-N 3.03Å; P3-G5 VanDerWaalsContact O-N 3.13Å; G5-L7 VanDerWaalsContact C-N 3.35Å; G5-L7 PolarHBondContact O-N 2.92Å; G5-I9 WeakPolarHBondContact O-CD1 3.3Å; G5-I9 VanDerWaalsContact O-CG1 3.31Å; G5-I9 WeakPolarHBondContact O-CG1 3.31Å; G5-I9 PolarHBondContact O-N 3.48Å
6H31.7Very low44.4Very low164 Ų16489.2 Ų89.276%0.75946%0.463SS*.Hα-helixtrans-71.3-27.9-179.2-106.5-89.6000113.7P3 N4 K10P3-H6 PolarHBondContact O-N 3.48Å; N4-H6 VanDerWaalsContact C-N 3.29Å; N4-H6 PolarHBondContact O-N 3.16Å; H6-K10 PolarHBondContact O-N 3.25Å
7L33.4Very low45.3Very low108 Ų10888.7 Ų88.757%0.56546%0.456SS*.Hα-helixtrans-71.4-51.4-179.6-162.274.5000110.5N4 G5 I9 K10 E11N4-L7 PolarHBondContact O-N 3.08Å; G5-L7 VanDerWaalsContact C-N 3.35Å; G5-L7 PolarHBondContact O-N 2.92Å; L7-I9 PolarHBondContact O-N 3.37Å; L7-K10 WeakPolarHBondContact O-CB 3.3Å; L7-K10 PolarHBondContact O-N 3.46Å; L7-E11 WeakPolarHBondContact O-CG 3.37Å; L7-E11 PolarHBondContact O-N 3.43Å
8L44.7Very low46.1Very low81 Ų8184.6 Ų84.642%0.42444%0.435SS..Hα-helixtrans-57.1-35.2179.2-66.8167.7000112.8E11 E12L8-E11 PolarHBondContact O-N 3.04Å; L8-E12 PolarHBondContact O-N 3.29Å
9I48.6Very low46.9Very low86 Ų8680.3 Ų80.344%0.44141%0.413SS..Hα-helixtrans-70.7-33.2177.5-65.2166.9000111.9G5 L7 K13G5-I9 WeakPolarHBondContact O-CD1 3.3Å; G5-I9 VanDerWaalsContact O-CG1 3.31Å; G5-I9 WeakPolarHBondContact O-CG1 3.31Å; G5-I9 PolarHBondContact O-N 3.48Å; L7-I9 PolarHBondContact O-N 3.37Å; I9-K13 WeakPolarHBondContact O-CG 3.43Å; I9-K13 PolarHBondContact O-N 3.48Å
10K48.8Very low47.6Very low107 Ų10780.7 Ų80.747%0.46542%0.416SS..Hα-helixtrans-68-43.9172.5-167.2-175.2179.1-168.40109.5H6 L7 I14H6-K10 PolarHBondContact O-N 3.25Å; L7-K10 WeakPolarHBondContact O-CB 3.3Å; L7-K10 PolarHBondContact O-N 3.46Å; K10-I14 HydrophobicContact CG-CD1 4.04Å; K10-I14 WeakPolarHBondContact O-CG1 3.44Å; K10-I14 PolarHBondContact O-N 3.12Å
11E55.3Low47.8Very low45 Ų4582 Ų8221%0.2142%0.419CS..Hα-helixtrans-65.3-46.7-180-67.5168.3168.800112.7L7 L8 K13 I14 L15L7-E11 WeakPolarHBondContact O-CG 3.37Å; L7-E11 PolarHBondContact O-N 3.43Å; L8-E11 PolarHBondContact O-N 3.04Å; E11-K13 PolarHBondContact O-N 3.11Å; E11-I14 PolarHBondContact O-N 3.01Å; E11-L15 WeakPolarHBondContact O-CB 3.24Å; E11-L15 PolarHBondContact O-N 2.89Å
12E59.6Low48.9Very low36 Ų3671.2 Ų71.217%0.16837%0.366CS..Hα-helixtrans-55-49.9175.3177.2177.6-17200111.3L8 I14 L15 R16 I285 R287L8-E12 PolarHBondContact O-N 3.29Å; E12-I14 VanDerWaalsContact C-N 3.28Å; E12-I14 PolarHBondContact O-N 2.99Å; E12-L15 PolarHBondContact O-N 3.43Å; E12-R16 HydrophobicContact CG-CG 4.3Å; E12-R16 WeakPolarHBondContact O-CB 3.44Å; E12-R16 WeakPolarHBondContact O-CG 3.4Å; E12-R16 PolarHBondContact O-N 2.92Å; E12-R16 IonicContact OE1-CZ 3.72Å; E12-R16 VanDerWaalsContact OE1-CZ 3.26Å; E12-R16 IonicContact OE1-NE 3.56Å; E12-R16 PolarHBondContact OE1-NE 3.48Å; E12-R16 IonicContact OE1-NH2 3.59Å; E12-R16 PolarHBondContact OE1-NH2 2.94Å; E12-I285 HydrophobicContact CB-CG2 3.72Å; E12-I285 HydrophobicContact CG-CG2 3.48Å; E12-I285 VanDerWaalsContact CG-CG2 3.48Å; E12-R287 IonicContact OE1-CZ 3.96Å; E12-R287 IonicContact OE1-NE 2.66Å; E12-R287 PolarHBondContact OE1-NE 2.74Å; E12-R287 VanDerWaalsContact OE1-NE 3.13Å; E12-R287 IonicContact OE1-NH2 3.34Å; E12-R287 PolarHBondContact OE1-NH2 3.32Å
13K57.4Low50.3Low137 Ų13767.8 Ų67.860%0.59634%0.342SS*.Hα-helixtrans-63.5-35-175.4-74.7-179.7178.2-176.60111.9I9 E11 K17I9-K13 WeakPolarHBondContact O-CG 3.43Å; I9-K13 PolarHBondContact O-N 3.48Å; E11-K13 PolarHBondContact O-N 3.11Å; K13-K17 WeakPolarHBondContact O-CG 3.45Å; K13-K17 PolarHBondContact O-N 2.98Å
14I56.3Low51.2Low17 Ų1767.8 Ų67.89%0.08734%0.335CS..Hα-helixtrans-79.9-39.7177.8-59.2164.3000110.8K10 E11 E12 R16 K17 L18 T83 I87K10-I14 HydrophobicContact CG-CD1 4.04Å; K10-I14 WeakPolarHBondContact O-CG1 3.44Å; K10-I14 PolarHBondContact O-N 3.12Å; E11-I14 PolarHBondContact O-N 3.01Å; E12-I14 VanDerWaalsContact C-N 3.28Å; E12-I14 PolarHBondContact O-N 2.99Å; I14-R16 PolarHBondContact O-N 3.23Å; I14-K17 CarbonylContact O-C 3.45Å; I14-K17 WeakPolarHBondContact O-CB 3.48Å; I14-K17 PolarHBondContact O-N 2.91Å; I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 PolarHBondContact O-N 3.16Å; I14-T83 HydrophobicContact CD1-CG2 4.41Å; I14-I87 HydrophobicContact CB-CD1 3.46Å; I14-I87 VanDerWaalsContact CB-CD1 3.46Å; I14-I87 HydrophobicContact CD1-CD1 3.93Å; I14-I87 HydrophobicContact CG1-CD1 4.3Å; I14-I87 HydrophobicContact CG2-CD1 3.43Å; I14-I87 VanDerWaalsContact CG2-CD1 3.43Å
15L62.2Low51.7Low4 Ų464.1 Ų64.12%0.02132%0.319CS..Hα-helixtrans-61.1-42.8174.4177.757.3000112E11 E12 L18 V19 L91 I285 M306E11-L15 WeakPolarHBondContact O-CB 3.24Å; E11-L15 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 3.43Å; L15-L18 HydrophobicContact CD1-CD2 4.26Å; L15-L18 WeakPolarHBondContact O-CB 3.22Å; L15-L18 PolarHBondContact O-N 3.14Å; L15-V19 HydrophobicContact CD1-CG2 3.96Å; L15-V19 HydrophobicContact CG-CG2 4.47Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 3.28Å; L15-L91 HydrophobicContact CB-CD1 4.3Å; L15-L91 HydrophobicContact CD1-CD1 3.5Å; L15-L91 VanDerWaalsContact CD1-CD1 3.5Å; L15-L91 HydrophobicContact CD2-CD1 3.68Å; L15-L91 HydrophobicContact CD2-CD2 4.08Å; L15-L91 HydrophobicContact CG-CD1 4Å; L15-I285 HydrophobicContact CD2-CD1 3.75Å; L15-M306 HydrophobicContact CD2-CE 3.95Å; L15-M306 HydrophobicContact CD2-SD 3.7Å; L15-M306 HydrophobicContact CG-CE 4.3Å; L15-M306 HydrophobicContact CG-SD 3.74Å
16R63.9Low52.4Low20 Ų2066.2 Ų66.28%0.07533%0.328CS..Hα-helixtrans-63.1-41.2173.4-72.7-177-177.4-92.64.3112E12 I14 L18 N20 R287 M306 E332E12-R16 HydrophobicContact CG-CG 4.3Å; E12-R16 WeakPolarHBondContact O-CB 3.44Å; E12-R16 WeakPolarHBondContact O-CG 3.4Å; E12-R16 PolarHBondContact O-N 2.92Å; E12-R16 IonicContact OE1-CZ 3.72Å; E12-R16 VanDerWaalsContact OE1-CZ 3.26Å; E12-R16 IonicContact OE1-NE 3.56Å; E12-R16 PolarHBondContact OE1-NE 3.48Å; E12-R16 IonicContact OE1-NH2 3.59Å; E12-R16 PolarHBondContact OE1-NH2 2.94Å; I14-R16 PolarHBondContact O-N 3.23Å; R16-L18 VanDerWaalsContact C-N 3.33Å; R16-L18 PolarHBondContact O-N 3.4Å; R16-N20 WeakPolarHBondContact O-CB 3.38Å; R16-N20 PolarHBondContact O-N 2.92Å; R16-N20 PolarHBondContact O-OD1 2.89Å; R16-R287 VanDerWaalsContact CZ-NH2 3.31Å; R16-M306 HydrophobicContact CG-CE 4.06Å; R16-M306 HydrophobicContact CG-CG 4.12Å; R16-E332 IonicContact CZ-OE2 2.85Å; R16-E332 IonicContact NH1-OE1 3.22Å; R16-E332 IonicContact NH1-OE2 2.74Å; R16-E332 PolarHBondContact NH1-OE2 3.01Å; R16-E332 IonicContact NH2-OE2 3.91Å
17K59Low52.8Low81 Ų8164.7 Ų64.735%0.35233%0.326SS..Hα-helixtrans-60.1-41.2172.5-78.7178.9174.3-171.10111.7K13 I14 F21 T45 F46K13-K17 WeakPolarHBondContact O-CG 3.45Å; K13-K17 PolarHBondContact O-N 2.98Å; I14-K17 CarbonylContact O-C 3.45Å; I14-K17 WeakPolarHBondContact O-CB 3.48Å; I14-K17 PolarHBondContact O-N 2.91Å; K17-F21 WeakPolarHBondContact O-CB 3.39Å; K17-F21 PolarHBondContact O-N 3.34Å; K17-T45 PolarHBondContact NZ-O 3.37Å; K17-F46 HydrophobicContact CD-CE2 3.81Å; K17-F46 HydrophobicContact CD-CZ 3.71Å; K17-F46 VanDerWaalsContact NZ-CD2 3.31Å
18L58.7Low53Low15 Ų1565.8 Ų65.88%0.07933%0.328CS..Hα-helixtrans-63.8-53.4177.1178.670.3000112.1I14 L15 R16 N20 F21 I22 F84 F88I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 PolarHBondContact O-N 3.16Å; L15-L18 HydrophobicContact CD1-CD2 4.26Å; L15-L18 WeakPolarHBondContact O-CB 3.22Å; L15-L18 PolarHBondContact O-N 3.14Å; R16-L18 VanDerWaalsContact C-N 3.33Å; R16-L18 PolarHBondContact O-N 3.4Å; L18-N20 VanDerWaalsContact C-N 3.35Å; L18-N20 PolarHBondContact O-N 3.28Å; L18-F21 PolarHBondContact O-N 3.31Å; L18-I22 HydrophobicContact CD1-CD1 4.09Å; L18-I22 HydrophobicContact CG-CD1 4.04Å; L18-I22 WeakPolarHBondContact O-CB 3.39Å; L18-I22 WeakPolarHBondContact O-CG1 3.19Å; L18-I22 PolarHBondContact O-N 2.92Å; L18-F84 HydrophobicContact CD1-CE1 3.7Å; L18-F84 HydrophobicContact CD1-CZ 4.22Å; L18-F88 HydrophobicContact CD1-CE2 4.41Å; L18-F88 HydrophobicContact CD2-CE2 3.72Å; L18-F88 HydrophobicContact CD2-CZ 3.86Å
19V62.6Low52.6Low2 Ų268.3 Ų68.31%0.01234%0.342CS..Hα-helixtrans-63.9-40.8-179.7175.50000110.8L15 I22 H23 I278 F304 M306L15-V19 HydrophobicContact CD1-CG2 3.96Å; L15-V19 HydrophobicContact CG-CG2 4.47Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 3.28Å; V19-I22 PolarHBondContact O-N 3.44Å; V19-H23 PolarHBondContact O-CD2 3.48Å; V19-H23 VanDerWaalsContact O-CD2 3.23Å; V19-H23 PolarHBondContact O-N 2.99Å; V19-I278 HydrophobicContact CG2-CD1 4.15Å; V19-F304 HydrophobicContact CG2-CD1 4.47Å; V19-F304 HydrophobicContact CG2-CE1 3.84Å; V19-F304 HydrophobicContact CG2-CZ 4.27Å; V19-M306 HydrophobicContact CB-CG 3.97Å; V19-M306 HydrophobicContact CG1-CG 4.01Å; V19-M306 HydrophobicContact CG2-CG 3.99Å; V19-M306 HydrophobicContact CG2-SD 4.18Å
20N59.6Low52Low89 Ų8972 Ų7248%0.47636%0.363SS..Hα-helixtrans-66.9-41.7176.6-705.8000112.1R16 L18 I22 H23 L24R16-N20 WeakPolarHBondContact O-CB 3.38Å; R16-N20 PolarHBondContact O-N 2.92Å; R16-N20 PolarHBondContact O-OD1 2.89Å; L18-N20 VanDerWaalsContact C-N 3.35Å; L18-N20 PolarHBondContact O-N 3.28Å; N20-I22 VanDerWaalsContact C-N 3.32Å; N20-I22 PolarHBondContact O-N 2.83Å; N20-H23 PolarHBondContact O-N 3.35Å; N20-L24 VanDerWaalsContact O-CB 3.23Å; N20-L24 WeakPolarHBondContact O-CB 3.15Å; N20-L24 WeakPolarHBondContact O-CD1 3.35Å; N20-L24 WeakPolarHBondContact O-CG 3.29Å; N20-L24 PolarHBondContact O-N 3.39Å
21F52.2Low51.3Low109 Ų10971.8 Ų71.848%0.47837%0.366SS..Hα-helixtrans-58.2-45.4175174.4-97.5000111.4K17 L18 S25K17-F21 WeakPolarHBondContact O-CB 3.39Å; K17-F21 PolarHBondContact O-N 3.34Å; L18-F21 PolarHBondContact O-N 3.31Å; F21-S25 WeakPolarHBondContact O-CB 3.37Å; F21-S25 PolarHBondContact O-N 3.13Å
22I52.5Low50.1Low21 Ų2175.6 Ų75.611%0.10839%0.388CS..Hα-helixtrans-59.7-47.4176.6-76.5168.4000111.8L18 V19 N20 I254 F304L18-I22 HydrophobicContact CD1-CD1 4.09Å; L18-I22 HydrophobicContact CG-CD1 4.04Å; L18-I22 WeakPolarHBondContact O-CB 3.39Å; L18-I22 WeakPolarHBondContact O-CG1 3.19Å; L18-I22 PolarHBondContact O-N 2.92Å; V19-I22 PolarHBondContact O-N 3.44Å; N20-I22 VanDerWaalsContact C-N 3.32Å; N20-I22 PolarHBondContact O-N 2.83Å; I22-I254 HydrophobicContact CD1-CG2 4.23Å; I22-I254 HydrophobicContact CG1-CG2 4.39Å; I22-I254 HydrophobicContact CG2-CB 4.18Å; I22-I254 HydrophobicContact CG2-CD1 3.48Å; I22-I254 VanDerWaalsContact CG2-CD1 3.48Å; I22-I254 HydrophobicContact CG2-CG1 3.62Å; I22-I254 HydrophobicContact CG2-CG2 3.47Å; I22-I254 VanDerWaalsContact CG2-CG2 3.47Å; I22-F304 HydrophobicContact CD1-CE1 3.78Å; I22-F304 HydrophobicContact CD1-CZ 4.27Å
23H56.3Low48.8Very low40 Ų4080.4 Ų80.419%0.18541%0.414CS..Hα-helixtrans-76.1-34.8-179.4-75.8-66000113.8V19 N20 S25 S26 Y302 F304V19-H23 PolarHBondContact O-CD2 3.48Å; V19-H23 VanDerWaalsContact O-CD2 3.23Å; V19-H23 PolarHBondContact O-N 2.99Å; N20-H23 PolarHBondContact O-N 3.35Å; H23-S25 PolarHBondContact O-N 3.26Å; H23-S26 PolarHBondContact O-N 3.04Å; H23-S26 VanDerWaalsContact O-N 3.09Å; H23-Y302 AromaticContact CE1-CD2 3.83Å; H23-F304 PolarHBondContact NE2-O 2.89Å
24L48.3Very low47.5Very low113 Ų11378.4 Ų78.459%0.59241%0.41SS*.Hα-helixtrans-57.3-38.3172.8-91.5157.3000111.5N20 S26N20-L24 VanDerWaalsContact O-CB 3.23Å; N20-L24 WeakPolarHBondContact O-CB 3.15Å; N20-L24 WeakPolarHBondContact O-CD1 3.35Å; N20-L24 WeakPolarHBondContact O-CG 3.29Å; N20-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 3.5Å
25S44.5Very low46.3Very low41 Ų4180.2 Ų80.229%0.28742%0.423SS..THydrogen-bonded Turntrans-75-1.7180-162.10000114.3F21 H23 C246F21-S25 WeakPolarHBondContact O-CB 3.37Å; F21-S25 PolarHBondContact O-N 3.13Å; H23-S25 PolarHBondContact O-N 3.26Å; S25-C246 WeakPolarHBondContact O-CB 3.31Å; S25-C246 VanDerWaalsContact OG-CB 3.26Å; S25-C246 WeakPolarHBondContact OG-CB 3.31Å; S25-C246 PolarHBondContact OG-SG 3.35Å
26S44.7Very low44.7Very low74 Ų7486.6 Ų86.652%0.51746%0.456SS..THydrogen-bonded Turntrans-109.8-10.9179.3-172.40000114.6H23 L24H23-S26 PolarHBondContact O-N 3.04Å; H23-S26 VanDerWaalsContact O-N 3.09Å; L24-S26 PolarHBondContact O-N 3.5Å
27N41.2Very low43.2Very low132 Ų13290.3 Ų90.371%0.70648%0.476SS*.SBendtrans-120.34-165.9-85.3-15.7000115.1
28H37.8Very low41.9Very low132 Ų13290.9 Ų90.961%0.61148%0.482SS*.  trans-115.591-178.3-109.5-50000113.2
29D35.1Very low40.6Very low134 Ų13493.2 Ų93.272%0.71750%0.5SS*.THydrogen-bonded Turntrans-54.3149160.3-64.8-47.4000111.1N31D29-N31 PolarHBondContact O-N 2.77Å
30N36.5Very low39Very low163 Ų16399.4 Ų99.487%0.87253%0.529SS*.THydrogen-bonded Turntrans68.98.1162.4-52.7-51000119.1
31N33.2Very low37.8Very low102 Ų102101 Ų10155%0.54553%0.532SS..  trans-119.867.7177.4-104.5-43.8000114.6D29 N33 L34D29-N31 PolarHBondContact O-N 2.77Å; N31-N33 PolarHBondContact O-N 3.49Å; N31-L34 PolarHBondContact O-N 3.27Å; N31-L34 VanDerWaalsContact O-N 3.09Å
32L31.5Very low36.9Very low125 Ų12599.6 Ų99.665%0.65453%0.528SS*.G310 helixtrans-48.6-30.8178.8-162.472.8000114.4L34L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 3.07Å
33N31.8Very low36Very low137 Ų137102.2 Ų102.273%0.73354%0.54SS*.G310 helixtrans-78.2-5.6-176.2-66.7-27.3000114.8N31N31-N33 PolarHBondContact O-N 3.49Å
34L30.4Very low35Very low96 Ų96104.5 Ų104.550%0.50356%0.557SS.*G310 helixtrans-87.8-23.5-179-155.869.6000113.5N31 L32 I36N31-L34 PolarHBondContact O-N 3.27Å; N31-L34 VanDerWaalsContact O-N 3.09Å; L32-L34 VanDerWaalsContact C-N 3.31Å; L32-L34 PolarHBondContact O-N 3.07Å; L34-I36 VanDerWaalsContact C-N 3.26Å; L34-I36 PolarHBondContact O-N 2.78Å
35C29.7Very low34.4Very low54 Ų54103.3 Ų103.337%0.36555%0.554SS.*SBendtrans-71.5-16.9179.7-65.30000113.8M37C35-M37 VanDerWaalsContact C-N 3.25Å; C35-M37 PolarHBondContact O-N 3.09Å
36I29.9Very low33.9Very low139 Ų139104.3 Ų104.371%0.71355%0.554SS**  trans-87.663.8179.7-47.6179.8000109.9L34 N38L34-I36 VanDerWaalsContact C-N 3.26Å; L34-I36 PolarHBondContact O-N 2.78Å; I36-N38 VanDerWaalsContact C-N 3.33Å; I36-N38 PolarHBondContact O-N 2.85Å
37M32.4Very low33.4Very low98 Ų98104.6 Ų104.648%0.48355%0.549SS..  trans-76.881175.7-92.3-70-157.400111.4C35 S39 K41C35-M37 VanDerWaalsContact C-N 3.25Å; C35-M37 PolarHBondContact O-N 3.09Å; M37-S39 PolarHBondContact O-N 3.48Å; M37-K41 HydrophobicContact CE-CD 4.2Å; M37-K41 HydrophobicContact SD-CB 3.69Å; M37-K41 HydrophobicContact SD-CD 3.74Å; M37-K41 HydrophobicContact SD-CG 4.3Å
38N31.2Very low33.1Very low93 Ų93103.1 Ų103.150%0.49755%0.545SS..  trans-52132.3164.7-176.43.7000110.1I36 Q40 K41I36-N38 VanDerWaalsContact C-N 3.33Å; I36-N38 PolarHBondContact O-N 2.85Å; N38-Q40 PolarHBondContact ND2-OE1 2.97Å; N38-Q40 PolarHBondContact O-N 2.81Å; N38-K41 PolarHBondContact O-N 2.89Å
39S31.2Very low32.8Very low63 Ų63101.8 Ų101.844%0.44155%0.546SS..Hα-helixtrans-53.5-27.9-169.457.10000114.1M37 K41 L42 H43M37-S39 PolarHBondContact O-N 3.48Å; S39-K41 VanDerWaalsContact C-N 3.26Å; S39-K41 PolarHBondContact O-N 3.1Å; S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 PolarHBondContact O-N 2.78Å; S39-L42 VanDerWaalsContact O-N 3.1Å; S39-H43 PolarHBondContact O-N 3.27Å
40Q29.1Very low32.7Very low133 Ų13399.7 Ų99.762%0.62154%0.538SS*.Hα-helixtrans-53.5-34.8174.2-63.2175-21.500113.9N38 H43 T44N38-Q40 PolarHBondContact ND2-OE1 2.97Å; N38-Q40 PolarHBondContact O-N 2.81Å; Q40-H43 WeakPolarHBondContact O-CB 3.13Å; Q40-H43 PolarHBondContact O-N 2.95Å; Q40-T44 PolarHBondContact O-N 3.27Å
41K34.2Very low32.4Very low123 Ų12396.4 Ų96.454%0.53552%0.524SS..Hα-helixtrans-75.5-26.9179.6-126.5-177.4-175.4-179.90112.8M37 N38 S39 T44 T45M37-K41 HydrophobicContact CE-CD 4.2Å; M37-K41 HydrophobicContact SD-CB 3.69Å; M37-K41 HydrophobicContact SD-CD 3.74Å; M37-K41 HydrophobicContact SD-CG 4.3Å; N38-K41 PolarHBondContact O-N 2.89Å; S39-K41 VanDerWaalsContact C-N 3.26Å; S39-K41 PolarHBondContact O-N 3.1Å; K41-T44 PolarHBondContact O-OG1 3.01Å; K41-T44 VanDerWaalsContact O-OG1 3.11Å; K41-T45 PolarHBondContact O-OG1 2.85Å
42L34.1Very low32.2Very low79 Ų79101.6 Ų101.641%0.41454%0.538SS..Hα-helixtrans-67.2-44.8170.4-140.880.2000109.3S39 T44 T45 F46 I78S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 PolarHBondContact O-N 2.78Å; S39-L42 VanDerWaalsContact O-N 3.1Å; L42-T44 PolarHBondContact O-N 3.34Å; L42-T45 CarbonylContact O-C 3.58Å; L42-T45 PolarHBondContact O-N 3.23Å; L42-F46 HydrophobicContact CD2-CE2 4.11Å; L42-F46 HydrophobicContact CG-CD2 4.16Å; L42-F46 HydrophobicContact CG-CE2 4.03Å; L42-F46 WeakPolarHBondContact O-CD2 3.26Å; L42-F46 PolarHBondContact O-N 3.27Å; L42-I78 HydrophobicContact CB-CD1 4.02Å; L42-I78 HydrophobicContact CD2-CD1 4.39Å
43H32.8Very low32Very low76 Ų76106 Ų10635%0.35255%0.547SS..Hα-helixtrans-56.6-49179.8-164.1-113.9000112.9S39 Q40 T45 F46 N47 I78S39-H43 PolarHBondContact O-N 3.27Å; Q40-H43 WeakPolarHBondContact O-CB 3.13Å; Q40-H43 PolarHBondContact O-N 2.95Å; H43-T45 PolarHBondContact O-N 3.1Å; H43-F46 PolarHBondContact O-N 3.07Å; H43-F46 VanDerWaalsContact O-N 3.15Å; H43-N47 PolarHBondContact CE1-ND2 3Å; H43-N47 PolarHBondContact NE2-ND2 2.87Å; H43-N47 VanDerWaalsContact NE2-ND2 3.13Å; H43-N47 PolarHBondContact O-N 2.69Å; H43-N47 VanDerWaalsContact O-N 3.16Å; H43-I78 HydrophobicContact CB-CD1 3.95Å
44T34.7Very low31.9Very low88 Ų88105.5 Ų105.554%0.5455%0.545SS..Hα-helixtrans-64.3-19.617753.30000113.9Q40 K41 L42 T48Q40-T44 PolarHBondContact O-N 3.27Å; K41-T44 PolarHBondContact O-OG1 3.01Å; K41-T44 VanDerWaalsContact O-OG1 3.11Å; L42-T44 PolarHBondContact O-N 3.34Å; T44-T48 PolarHBondContact O-OG1 2.92Å
45T36.9Very low31.7Very low87 Ų87107.7 Ų107.753%0.53456%0.557SS.*THydrogen-bonded Turntrans-1056.8-179.8-35.20000112.5K17 K41 L42 H43K17-T45 PolarHBondContact NZ-O 3.37Å; K41-T45 PolarHBondContact O-OG1 2.85Å; L42-T45 CarbonylContact O-C 3.58Å; L42-T45 PolarHBondContact O-N 3.23Å; H43-T45 PolarHBondContact O-N 3.1Å
46F34.5Very low31.6Very low63 Ų63111.8 Ų111.828%0.27658%0.58SS.*THydrogen-bonded Turntrans-107.3-45.4169.7-97.6-97.9000111K17 L42 H43 T48 T49K17-F46 HydrophobicContact CD-CE2 3.81Å; K17-F46 HydrophobicContact CD-CZ 3.71Å; K17-F46 VanDerWaalsContact NZ-CD2 3.31Å; L42-F46 HydrophobicContact CD2-CE2 4.11Å; L42-F46 HydrophobicContact CG-CD2 4.16Å; L42-F46 HydrophobicContact CG-CE2 4.03Å; L42-F46 WeakPolarHBondContact O-CD2 3.26Å; L42-F46 PolarHBondContact O-N 3.27Å; H43-F46 PolarHBondContact O-N 3.07Å; H43-F46 VanDerWaalsContact O-N 3.15Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.45Å; F46-T49 PolarHBondContact O-N 3Å; F46-T49 PolarHBondContact O-OG1 3.45Å
47N32.2Very low31.5Very low80 Ų80110.7 Ų110.743%0.42859%0.585SS.*G310 helixtrans-79.1-9.6-170.4-64.4-4.4000115H43 T49 T50H43-N47 PolarHBondContact CE1-ND2 3Å; H43-N47 PolarHBondContact NE2-ND2 2.87Å; H43-N47 VanDerWaalsContact NE2-ND2 3.13Å; H43-N47 PolarHBondContact O-N 2.69Å; H43-N47 VanDerWaalsContact O-N 3.16Å; N47-T49 VanDerWaalsContact C-N 3.26Å; N47-T49 PolarHBondContact O-N 2.97Å; N47-T50 PolarHBondContact O-OG1 3.36Å
48T36Very low31.5Very low100 Ų100111.5 Ų111.561%0.61360%0.6SS**G310 helixtrans-80.5-1.217543.60000114.1T44 F46T44-T48 PolarHBondContact O-OG1 2.92Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-T48 PolarHBondContact O-N 3.45Å
49T32.5Very low31.3Very low104 Ų104115.7 Ų115.764%0.63862%0.621SS**G310 helixtrans-122.67.3-178.356.40000114.4F46 N47F46-T49 PolarHBondContact O-N 3Å; F46-T49 PolarHBondContact O-OG1 3.45Å; N47-T49 VanDerWaalsContact C-N 3.26Å; N47-T49 PolarHBondContact O-N 2.97Å
50T32.2Very low31.1Very low90 Ų90117.2 Ų117.255%0.55264%0.638SS**SBendtrans-106.2-9.8179.941.20000114.2N47N47-T50 PolarHBondContact O-OG1 3.36Å
51T30.2Very low31.2Very low94 Ų94115.1 Ų115.158%0.57764%0.643SS**SBendtrans-103.98.2-177.347.80000114.6
52Y27.9Very low31.1Very low212 Ų212114.1 Ų114.183%0.83165%0.652SS**SBendtrans-119.717.8-173-134.5-93.4000114.5
53Y27.9Very low30.9Very low216 Ų216115.9 Ų115.985%0.84767%0.671SS**SBendtrans-1404.5-176.3-124.4-85.5000115.7
54N30.3Very low30.7Very low128 Ų128116.8 Ų116.868%0.68469%0.692SS**SBendtrans-113.4-19.1-178.8-70.7-14.4000114.1V56N54-V56 PolarHBondContact O-N 3.45Å
55D26.5Very low30.5Very low141 Ų141117.2 Ų117.275%0.75470%0.704SS**  trans-103.150.6-166-65.9-55.7000114.5
56V27.5Very low30.1Very low141 Ų141118 Ų11886%0.85571%0.713SS**SBendtrans-13530172.6-153.90000112.8N54N54-V56 PolarHBondContact O-N 3.45Å
57S27.1Very low29.7Very low115 Ų115120.6 Ų120.680%0.80474%0.739SS**SBendtrans-136.212.2-173.1-62.70000117.1
58S31.7Very low29.5Very low115 Ų115120.5 Ų120.580%0.80476%0.756SS**  trans-162.6101.5169.651.30000114.6
59L26.9Very low29Very low181 Ų181121 Ų12195%0.94877%0.771SS**  trans-77.7113.2154.4-90.173.4000109.3
60A27.7Very low28.7Very low96 Ų96121.4 Ų121.479%0.79378%0.778SS**  trans179.4159.5146.200000112.8
61A31.9Very low28.3Very low88 Ų88123.2 Ų123.273%0.72780%0.795SS**  trans6978.2155.900000120.5
62S32.7Very low28.2Very low103 Ų103123.7 Ų123.772%0.7280%0.802SS**  5494.3121.262.60000122.2
63S28.2Very low28Very low116 Ų116119.6 Ų119.681%0.81180%0.804SS**  41.2108.3114.264.40000122.5
64A29.8Very low27.9Very low95 Ų95115.7 Ų115.779%0.78580%0.797SS**  trans-164.2121.9137.300000107.6
65A28.9Very low27.7Very low97 Ų97114.6 Ų114.680%0.80280%0.8SS**  59.1130.681.800000114.4
66S28.6Very low27.6Very low103 Ų103114.7 Ų114.772%0.7280%0.797SS**  cis-170.8154.3-7.547.40000111.7
67S28Very low27.7Very low118 Ų118114.1 Ų114.183%0.82579%0.788SS**  trans46.1115.1152.260.90000120.5
68G27.3Very low27.8Very low77 Ų77110.8 Ų110.879%0.79476%0.761SS**  trans-170.357.417200000114.7S70G68-S70 PolarHBondContact O-N 2.98Å
69A24.6Very low27.8Very low112 Ų112109.3 Ų109.393%0.92674%0.744SS**  trans-82.4113.318000000111.9
70S26.9Very low28.1Very low112 Ų112105 Ų10578%0.78372%0.721SS**  trans-138.4144.3166.1610000110.4G68G68-S70 PolarHBondContact O-N 2.98Å
71S24.6Very low28.4Very low128 Ų128101.5 Ų101.590%0.89569%0.689SS**  trans-81.2119.1-169.353.10000112.8
72S26.8Very low28.9Very low104 Ų104103.7 Ų103.773%0.72768%0.684SS**  trans-134.2125.1160.759.50000110.7L74S72-L74 PolarHBondContact O-N 3.42Å
73S24.7Very low29.5Very low126 Ų126100 Ų10088%0.88166%0.657SS**  trans-77.698.1175.551.30000109.6
74L25.4Very low30.2Very low133 Ų13397.1 Ų97.170%0.69663%0.63SS**  trans-108.6105.4177.4-151.176.9000111.6S72 M76S72-L74 PolarHBondContact O-N 3.42Å; L74-M76 HydrophobicContact CD2-CE 3.9Å; L74-M76 PolarHBondContact O-N 2.93Å; L74-M76 VanDerWaalsContact O-N 3.09Å
75S25Very low30.7Very low106 Ų10696.3 Ų96.374%0.74161%0.608SS**  trans-75.189.3174.352.10000111I77S75-I77 PolarHBondContact O-N 2.93Å; S75-I77 VanDerWaalsContact O-N 3.15Å
76M25.9Very low31.5Very low142 Ų14294.1 Ų94.170%0.759%0.585SS**  trans-76.297.6166.7-68.8-169.4177.900109.6L74L74-M76 HydrophobicContact CD2-CE 3.9Å; L74-M76 PolarHBondContact O-N 2.93Å; L74-M76 VanDerWaalsContact O-N 3.09Å
77I28.2Very low32.4Very low129 Ų12989.8 Ų89.866%0.66255%0.554SS**PPolyproline II helixtrans-70.4131.1168.4-62.8172.3000107.4S75 D79S75-I77 PolarHBondContact O-N 2.93Å; S75-I77 VanDerWaalsContact O-N 3.15Å; I77-D79 PolarHBondContact O-N 3.27Å
78I29.6Very low33.6Very low46 Ų4685.4 Ų85.424%0.23652%0.52CS..PPolyproline II helixtrans-69.6119.4170.8-62.9172.1000107.4L42 H43 L80L42-I78 HydrophobicContact CB-CD1 4.02Å; L42-I78 HydrophobicContact CD2-CD1 4.39Å; H43-I78 HydrophobicContact CB-CD1 3.95Å; I78-L80 PolarHBondContact O-N 3.03Å
79D31.6Very low34.6Very low83 Ų8387.6 Ų87.644%0.44451%0.509SS..PPolyproline II helixtrans-71119175.4-165.7-7.4000110.4I77 N81 T83I77-D79 PolarHBondContact O-N 3.27Å; D79-N81 VanDerWaalsContact C-N 3.29Å; D79-N81 VanDerWaalsContact OD1-CB 3.3Å; D79-N81 WeakPolarHBondContact OD1-CB 3.32Å; D79-N81 PolarHBondContact OD1-N 3.17Å; D79-N81 PolarHBondContact OD1-ND2 3.47Å; D79-T83 PolarHBondContact O-OG1 3.35Å
80L33.6Very low35.7Very low90 Ų9087.6 Ų87.647%0.47149%0.49SS..SBendtrans-74.8-19.1175.3-70.4105.5000111.9I78 T83 F84I78-L80 PolarHBondContact O-N 3.03Å; L80-T83 PolarHBondContact O-N 2.96Å; L80-F84 HydrophobicContact CD2-CD2 4.02Å; L80-F84 HydrophobicContact CD2-CE2 4.1Å; L80-F84 HydrophobicContact CD2-CG 4.48Å; L80-F84 WeakPolarHBondContact O-CB 3.43Å; L80-F84 PolarHBondContact O-N 3.41Å
81N35.2Very low36.9Very low23 Ų2384.1 Ų84.112%0.12346%0.462CS..THydrogen-bonded Turntrans-62.4-48.2175.5-64.1-58000111.3D79 T83 P86 F220D79-N81 VanDerWaalsContact C-N 3.29Å; D79-N81 VanDerWaalsContact OD1-CB 3.3Å; D79-N81 WeakPolarHBondContact OD1-CB 3.32Å; D79-N81 PolarHBondContact OD1-N 3.17Å; D79-N81 PolarHBondContact OD1-ND2 3.47Å; N81-T83 PolarHBondContact O-N 3.36Å; N81-T83 VanDerWaalsContact O-N 3.08Å; N81-P86 VanDerWaalsContact O-CD 3.31Å; N81-P86 WeakPolarHBondContact O-CD 3.31Å; N81-F220 VanDerWaalsContact OD1-CE1 3.29Å; N81-F220 WeakPolarHBondContact OD1-CE1 3.46Å
82E41Very low38.1Very low135 Ų13579.3 Ų79.363%0.63143%0.426SS*.THydrogen-bonded Turntrans-61.8-14.9178-93.4-116.2171.800114.8
83T46.6Very low39.1Very low25 Ų2577.3 Ų77.315%0.15341%0.41CS..THydrogen-bonded Turntrans-128.1-30.1-169.851.50000115.9I14 D79 L80 N81 I87I14-T83 HydrophobicContact CD1-CG2 4.41Å; D79-T83 PolarHBondContact O-OG1 3.35Å; L80-T83 PolarHBondContact O-N 2.96Å; N81-T83 PolarHBondContact O-N 3.36Å; N81-T83 VanDerWaalsContact O-N 3.08Å; T83-I87 VanDerWaalsContact O-CD1 3.24Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å
84F42.8Very low39.7Very low55 Ų5575.5 Ų75.524%0.24140%0.397CS..THydrogen-bonded Turntrans-102.7-44.2-179.3-86.6-113.3000113.1L18 L80 I87 F88 P243L18-F84 HydrophobicContact CD1-CE1 3.7Å; L18-F84 HydrophobicContact CD1-CZ 4.22Å; L80-F84 HydrophobicContact CD2-CD2 4.02Å; L80-F84 HydrophobicContact CD2-CE2 4.1Å; L80-F84 HydrophobicContact CD2-CG 4.48Å; L80-F84 WeakPolarHBondContact O-CB 3.43Å; L80-F84 PolarHBondContact O-N 3.41Å; F84-I87 PolarHBondContact O-N 2.89Å; F84-F88 HydrophobicContact CD1-CD2 4.36Å; F84-F88 AromaticContact CD1-CE2 3.88Å; F84-F88 HydrophobicContact CD1-CE2 3.88Å; F84-F88 HydrophobicContact CE1-CE2 4.43Å; F84-F88 PolarHBondContact O-N 3.02Å; F84-P243 HydrophobicContact CE1-CG 4.16Å
85Y40.4Very low40.1Very low79 Ų7978.1 Ų78.131%0.3140%0.403SS..Hα-helixtrans-60.6-52.7-170-171.8-110.4000114.7I87 F88 H89 D225Y85-I87 PolarHBondContact O-N 3.18Å; Y85-F88 PolarHBondContact O-N 3.31Å; Y85-H89 WeakPolarHBondContact O-CB 3.14Å; Y85-H89 PolarHBondContact O-N 3.07Å; Y85-D225 HydrophobicContact CD1-CB 3.94Å; Y85-D225 WeakPolarHBondContact CD1-OD1 3.29Å; Y85-D225 HydrophobicContact CD2-CB 4.19Å; Y85-D225 HydrophobicContact CE1-CB 4.05Å; Y85-D225 WeakPolarHBondContact CE1-OD1 3.37Å; Y85-D225 HydrophobicContact CE2-CB 4.3Å; Y85-D225 HydrophobicContact CG-CB 4.02Å
86P45Very low40.9Very low51 Ų5175.8 Ų75.833%0.33139%0.386SS..Hα-helixtrans-62.1-33.1177.324.1-34.1000112.4N81 H89 H90N81-P86 VanDerWaalsContact O-CD 3.31Å; N81-P86 WeakPolarHBondContact O-CD 3.31Å; P86-H89 PolarHBondContact O-N 3.06Å; P86-H90 WeakPolarHBondContact O-CB 3.34Å; P86-H90 PolarHBondContact O-CD2 3.37Å; P86-H90 PolarHBondContact O-N 3.38Å
87I48Very low41.7Very low11 Ų1170.7 Ų70.76%0.05636%0.362CS..Hα-helixtrans-67.4-45.7-179.2-66.7-169000111I14 T83 F84 Y85 L91I14-I87 HydrophobicContact CB-CD1 3.46Å; I14-I87 VanDerWaalsContact CB-CD1 3.46Å; I14-I87 HydrophobicContact CD1-CD1 3.93Å; I14-I87 HydrophobicContact CG1-CD1 4.3Å; I14-I87 HydrophobicContact CG2-CD1 3.43Å; I14-I87 VanDerWaalsContact CG2-CD1 3.43Å; T83-I87 VanDerWaalsContact O-CD1 3.24Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å; F84-I87 PolarHBondContact O-N 2.89Å; Y85-I87 PolarHBondContact O-N 3.18Å; I87-L91 HydrophobicContact CG2-CD1 3.49Å; I87-L91 VanDerWaalsContact CG2-CD1 3.49Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CB 3.26Å; I87-L91 WeakPolarHBondContact O-CB 3.5Å; I87-L91 VanDerWaalsContact O-CG 3.24Å; I87-L91 WeakPolarHBondContact O-CG 3.38Å; I87-L91 PolarHBondContact O-N 2.81Å
88F51.7Low42.1Very low27 Ų2768.1 Ų68.112%0.11835%0.352CS..Hα-helixtrans-66.2-39.7174.6-87.6-98.4000111.8L18 F84 Y85 H90 I92 L256L18-F88 HydrophobicContact CD1-CE2 4.41Å; L18-F88 HydrophobicContact CD2-CE2 3.72Å; L18-F88 HydrophobicContact CD2-CZ 3.86Å; F84-F88 HydrophobicContact CD1-CD2 4.36Å; F84-F88 AromaticContact CD1-CE2 3.88Å; F84-F88 HydrophobicContact CD1-CE2 3.88Å; F84-F88 HydrophobicContact CE1-CE2 4.43Å; F84-F88 PolarHBondContact O-N 3.02Å; Y85-F88 PolarHBondContact O-N 3.31Å; F88-H90 PolarHBondContact O-N 2.75Å; F88-I92 HydrophobicContact CD1-CD1 3.7Å; F88-I92 HydrophobicContact CD1-CG1 4.4Å; F88-I92 HydrophobicContact CE1-CD1 3.87Å; F88-I92 WeakPolarHBondContact O-CA 3.16Å; F88-I92 WeakPolarHBondContact O-CB 3.24Å; F88-I92 PolarHBondContact O-N 2.86Å; F88-L256 HydrophobicContact CD1-CD2 4.49Å; F88-L256 HydrophobicContact CE1-CD1 3.78Å; F88-L256 HydrophobicContact CE1-CD2 4.09Å; F88-L256 HydrophobicContact CZ-CD1 4.33Å
89H49.3Very low42.6Very low122 Ų12274.4 Ų74.457%0.56538%0.38SS*.Hα-helixtrans-64.8-37.3178.1-175-99.4000113.4Y85 P86Y85-H89 WeakPolarHBondContact O-CB 3.14Å; Y85-H89 PolarHBondContact O-N 3.07Å; P86-H89 PolarHBondContact O-N 3.06Å
90H48.1Very low43.2Very low113 Ų11373.7 Ų73.752%0.52338%0.377SS..Hα-helixtrans-82.9-37.9178.7-78.2-65.8000113.9P86 F88 T93P86-H90 WeakPolarHBondContact O-CB 3.34Å; P86-H90 PolarHBondContact O-CD2 3.37Å; P86-H90 PolarHBondContact O-N 3.38Å; F88-H90 PolarHBondContact O-N 2.75Å; H90-T93 WeakPolarHBondContact O-CG2 3.47Å
91L51.2Low43.6Very low38 Ų3870.3 Ų70.320%0.19936%0.358CS..Hα-helixtrans-83-28.5-179.1-63.9175.3000113.8L15 I87 Y276 L283 I285L15-L91 HydrophobicContact CB-CD1 4.3Å; L15-L91 HydrophobicContact CD1-CD1 3.5Å; L15-L91 VanDerWaalsContact CD1-CD1 3.5Å; L15-L91 HydrophobicContact CD2-CD1 3.68Å; L15-L91 HydrophobicContact CD2-CD2 4.08Å; L15-L91 HydrophobicContact CG-CD1 4Å; I87-L91 HydrophobicContact CG2-CD1 3.49Å; I87-L91 VanDerWaalsContact CG2-CD1 3.49Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CB 3.26Å; I87-L91 WeakPolarHBondContact O-CB 3.5Å; I87-L91 VanDerWaalsContact O-CG 3.24Å; I87-L91 WeakPolarHBondContact O-CG 3.38Å; I87-L91 PolarHBondContact O-N 2.81Å; L91-Y276 PolarHBondContact O-OH 2.89Å; L91-L283 HydrophobicContact CD2-CD1 3.74Å; L91-L283 HydrophobicContact CD2-CD2 4.05Å; L91-L283 HydrophobicContact CD2-CG 4.5Å; L91-I285 HydrophobicContact CD2-CD1 4.19Å
92I50.8Low43.9Very low28 Ų2873 Ų7314%0.14437%0.372CS..SBendtrans-120.361.8-177.3-43.4-168.7000108.9F88 L97 Y276F88-I92 HydrophobicContact CD1-CD1 3.7Å; F88-I92 HydrophobicContact CD1-CG1 4.4Å; F88-I92 HydrophobicContact CE1-CD1 3.87Å; F88-I92 WeakPolarHBondContact O-CA 3.16Å; F88-I92 WeakPolarHBondContact O-CB 3.24Å; F88-I92 PolarHBondContact O-N 2.86Å; I92-L97 HydrophobicContact CG2-CB 4.45Å; I92-L97 HydrophobicContact CG2-CD1 3.36Å; I92-L97 HydrophobicContact CG2-CG 3.49Å; I92-L97 VanDerWaalsContact CG2-CG 3.49Å; I92-Y276 HydrophobicContact CG2-CE2 4.19Å
93T46.7Very low44.3Very low61 Ų6171.9 Ų71.937%0.37437%0.367SS..  trans-58.9153.8178.368.40000111.7H90 K95 S96 L97H90-T93 WeakPolarHBondContact O-CG2 3.47Å; T93-K95 PolarHBondContact O-N 3.16Å; T93-S96 PolarHBondContact O-N 2.98Å; T93-S96 PolarHBondContact OG1-N 3.1Å; T93-L97 PolarHBondContact O-N 2.93Å
94S36.9Very low44.5Very low89 Ų8972.8 Ų72.862%0.62237%0.371SS*.THydrogen-bonded Turntrans-64.56175.557.50000115.5L97S94-L97 CarbonylContact C-O 3.46Å
95K34.6Very low44.8Very low188 Ų18871.4 Ų71.482%0.81737%0.366SS*.THydrogen-bonded Turntrans-110.5-24.8167.6-66.5-178.3178.5178.40113.2T93 L97T93-K95 PolarHBondContact O-N 3.16Å; K95-L97 CarbonylContact C-O 3.59Å
96S42.8Very low45.4Very low56 Ų5675 Ų7539%0.39238%0.379SS..THydrogen-bonded Turntrans-78.2-47.7179.1-167.50000110.9T93 T98 Y276T93-S96 PolarHBondContact O-N 2.98Å; T93-S96 PolarHBondContact OG1-N 3.1Å; S96-T98 PolarHBondContact O-N 2.94Å; S96-Y276 PolarHBondContact OG-OH 3.29Å
97L42Very low46Very low36 Ų3676 Ų7619%0.18838%0.377CS..SBendtrans-68.7112.6152.2-79.6173.5000106.6I92 T93 S94 K95 F101 W241I92-L97 HydrophobicContact CG2-CB 4.45Å; I92-L97 HydrophobicContact CG2-CD1 3.36Å; I92-L97 HydrophobicContact CG2-CG 3.49Å; I92-L97 VanDerWaalsContact CG2-CG 3.49Å; T93-L97 PolarHBondContact O-N 2.93Å; S94-L97 CarbonylContact C-O 3.46Å; K95-L97 CarbonylContact C-O 3.59Å; L97-F101 HydrophobicContact CB-CB 3.72Å; L97-F101 HydrophobicContact CB-CD1 3.51Å; L97-F101 HydrophobicContact CB-CD2 4.48Å; L97-F101 HydrophobicContact CB-CE1 4.28Å; L97-F101 HydrophobicContact CB-CG 3.63Å; L97-F101 HydrophobicContact CD1-CD1 3.65Å; L97-F101 HydrophobicContact CD1-CD2 4.03Å; L97-F101 HydrophobicContact CD1-CE1 3.59Å; L97-F101 HydrophobicContact CD1-CE2 3.99Å; L97-F101 HydrophobicContact CD1-CG 3.88Å; L97-F101 HydrophobicContact CD1-CZ 3.79Å; L97-F101 HydrophobicContact CD2-CB 4.39Å; L97-F101 HydrophobicContact CD2-CD2 4.25Å; L97-F101 HydrophobicContact CD2-CG 4.18Å; L97-F101 HydrophobicContact CG-CD1 4.13Å; L97-F101 HydrophobicContact CG-CD2 4.5Å; L97-F101 HydrophobicContact CG-CG 4.11Å; L97-W241 HydrophobicContact CD1-CH2 4.39Å
98T37Very low46.4Very low74 Ų7475.7 Ų75.745%0.45438%0.375SS..  trans-63175.1-164.262.60000113.4S96 N100 F101 L102S96-T98 PolarHBondContact O-N 2.94Å; T98-N100 PolarHBondContact O-N 3.08Å; T98-F101 WeakPolarHBondContact O-CB 3.39Å; T98-F101 PolarHBondContact O-N 2.85Å; T98-L102 PolarHBondContact O-N 3.17Å
99Q39.5Very low46.6Very low178 Ų17875.5 Ų75.583%0.83238%0.376SS*.Hα-helixtrans-50.1-31.5174.7-70.2179.3-75.700113.2F101 L102 H103Q99-F101 VanDerWaalsContact C-N 3.32Å; Q99-F101 PolarHBondContact O-N 3.45Å; Q99-L102 PolarHBondContact O-N 3.4Å; Q99-H103 WeakPolarHBondContact O-CB 3.41Å; Q99-H103 PolarHBondContact O-N 3.4Å
100N43.4Very low47.2Very low68 Ų6874.9 Ų74.936%0.36437%0.373SS..Hα-helixtrans-59-40.1173.8-59.45.2000111.8T98 H103 D104 T162T98-N100 PolarHBondContact O-N 3.08Å; N100-H103 CarbonylContact O-C 3.42Å; N100-H103 WeakPolarHBondContact O-CB 3.45Å; N100-H103 PolarHBondContact O-N 3.31Å; N100-D104 VanDerWaalsContact O-CB 3.29Å; N100-D104 WeakPolarHBondContact O-CB 3.37Å; N100-D104 PolarHBondContact O-N 2.96Å; N100-T162 PolarHBondContact ND2-OG1 3.31Å; N100-T162 VanDerWaalsContact ND2-OG1 3.15Å
101F42.8Very low47.9Very low20 Ų2070.6 Ų70.69%0.08835%0.354CS..Hα-helixtrans-70.3-38.6179.8177.5-100.9000113L97 T98 Q99 H103 D104 I105 W241 F271L97-F101 HydrophobicContact CB-CB 3.72Å; L97-F101 HydrophobicContact CB-CD1 3.51Å; L97-F101 HydrophobicContact CB-CD2 4.48Å; L97-F101 HydrophobicContact CB-CE1 4.28Å; L97-F101 HydrophobicContact CB-CG 3.63Å; L97-F101 HydrophobicContact CD1-CD1 3.65Å; L97-F101 HydrophobicContact CD1-CD2 4.03Å; L97-F101 HydrophobicContact CD1-CE1 3.59Å; L97-F101 HydrophobicContact CD1-CE2 3.99Å; L97-F101 HydrophobicContact CD1-CG 3.88Å; L97-F101 HydrophobicContact CD1-CZ 3.79Å; L97-F101 HydrophobicContact CD2-CB 4.39Å; L97-F101 HydrophobicContact CD2-CD2 4.25Å; L97-F101 HydrophobicContact CD2-CG 4.18Å; L97-F101 HydrophobicContact CG-CD1 4.13Å; L97-F101 HydrophobicContact CG-CD2 4.5Å; L97-F101 HydrophobicContact CG-CG 4.11Å; T98-F101 WeakPolarHBondContact O-CB 3.39Å; T98-F101 PolarHBondContact O-N 2.85Å; Q99-F101 VanDerWaalsContact C-N 3.32Å; Q99-F101 PolarHBondContact O-N 3.45Å; F101-H103 VanDerWaalsContact C-N 3.31Å; F101-D104 CarbonylContact O-C 3.57Å; F101-D104 PolarHBondContact O-N 3.15Å; F101-I105 HydrophobicContact CD1-CD1 4.19Å; F101-I105 HydrophobicContact CD1-CG1 4.5Å; F101-I105 HydrophobicContact CE1-CD1 3.33Å; F101-I105 HydrophobicContact CE1-CG1 3.9Å; F101-I105 HydrophobicContact CE2-CD1 4.48Å; F101-I105 HydrophobicContact CE2-CG1 4.3Å; F101-I105 HydrophobicContact CZ-CD1 3.5Å; F101-I105 VanDerWaalsContact CZ-CD1 3.5Å; F101-I105 HydrophobicContact CZ-CG1 3.76Å; F101-I105 PolarHBondContact O-N 2.97Å; F101-W241 HydrophobicContact CE1-CH2 4.42Å; F101-W241 HydrophobicContact CE1-CZ2 4.21Å; F101-W241 AromaticContact CE2-CH2 3.89Å; F101-W241 HydrophobicContact CE2-CH2 3.89Å; F101-W241 HydrophobicContact CE2-CZ2 4.45Å; F101-W241 AromaticContact CZ-CH2 3.44Å; F101-W241 HydrophobicContact CZ-CH2 3.44Å; F101-W241 VanDerWaalsContact CZ-CH2 3.44Å; F101-W241 AromaticContact CZ-CZ2 3.56Å; F101-W241 HydrophobicContact CZ-CZ2 3.56Å; F101-F271 HydrophobicContact CD2-CE1 4.17Å; F101-F271 HydrophobicContact CD2-CZ 4.22Å; F101-F271 HydrophobicContact CE2-CE1 4.1Å; F101-F271 HydrophobicContact CE2-CE2 4.1Å; F101-F271 AromaticContact CE2-CZ 3.73Å; F101-F271 HydrophobicContact CE2-CZ 3.73Å
102L41.8Very low48.4Very low79 Ų7969 Ų6941%0.41435%0.345SS..Hα-helixtrans-65.2-41.1173.6-159.785.3000110.4T98 Q99 D104 I105 Y106T98-L102 PolarHBondContact O-N 3.17Å; Q99-L102 PolarHBondContact O-N 3.4Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-I105 PolarHBondContact O-N 3.24Å; L102-Y106 HydrophobicContact CD2-CE2 4.12Å; L102-Y106 HydrophobicContact CG-CD2 4.38Å; L102-Y106 HydrophobicContact CG-CE2 4.09Å; L102-Y106 WeakPolarHBondContact O-CD2 3.5Å; L102-Y106 PolarHBondContact O-N 3.43Å
103H49.2Very low49.1Very low111 Ų11172 Ų7251%0.51436%0.355SS..Hα-helixtrans-60.4-41.2171.2174.9-86.1000111.8Q99 N100 F101 Y106 R107Q99-H103 WeakPolarHBondContact O-CB 3.41Å; Q99-H103 PolarHBondContact O-N 3.4Å; N100-H103 CarbonylContact O-C 3.42Å; N100-H103 WeakPolarHBondContact O-CB 3.45Å; N100-H103 PolarHBondContact O-N 3.31Å; F101-H103 VanDerWaalsContact C-N 3.31Å; H103-Y106 CarbonylContact O-C 3.58Å; H103-Y106 PolarHBondContact O-N 3.07Å; H103-R107 VanDerWaalsContact O-CB 3.23Å; H103-R107 WeakPolarHBondContact O-CB 3.25Å; H103-R107 PolarHBondContact O-N 3.28Å
104D49.7Very low49.9Very low45 Ų4572.7 Ų72.724%0.24136%0.356CS..Hα-helixtrans-74.4-25178.9-68.8-23.1000112.5N100 F101 L102 S108N100-D104 VanDerWaalsContact O-CB 3.29Å; N100-D104 WeakPolarHBondContact O-CB 3.37Å; N100-D104 PolarHBondContact O-N 2.96Å; F101-D104 CarbonylContact O-C 3.57Å; F101-D104 PolarHBondContact O-N 3.15Å; L102-D104 VanDerWaalsContact C-N 3.33Å; D104-S108 WeakPolarHBondContact O-CB 3.37Å; D104-S108 PolarHBondContact O-N 2.82Å; D104-S108 PolarHBondContact O-OG 3.4Å
105I50.3Low51.3Low26 Ų2668.4 Ų68.413%0.13333%0.326CS..Hα-helixtrans-64.8-52.2163-77.2-177000109.8F101 L102 R107 S108 I109 Y258F101-I105 HydrophobicContact CD1-CD1 4.19Å; F101-I105 HydrophobicContact CD1-CG1 4.5Å; F101-I105 HydrophobicContact CE1-CD1 3.33Å; F101-I105 HydrophobicContact CE1-CG1 3.9Å; F101-I105 HydrophobicContact CE2-CD1 4.48Å; F101-I105 HydrophobicContact CE2-CG1 4.3Å; F101-I105 HydrophobicContact CZ-CD1 3.5Å; F101-I105 VanDerWaalsContact CZ-CD1 3.5Å; F101-I105 HydrophobicContact CZ-CG1 3.76Å; F101-I105 PolarHBondContact O-N 2.97Å; L102-I105 PolarHBondContact O-N 3.24Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.06Å; I105-S108 WeakPolarHBondContact CA-OG 3.06Å; I105-S108 PolarHBondContact O-N 3.44Å; I105-S108 VanDerWaalsContact O-N 3.11Å; I105-S108 PolarHBondContact O-OG 3.02Å; I105-I109 HydrophobicContact CG2-CD1 3.99Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.85Å; I105-Y258 HydrophobicContact CG1-CE1 4.24Å
106Y53Low52.7Low153 Ų15360.4 Ų60.460%0.629%0.293SS*.Hα-helixtrans-61.5-36.9178-77.7-64.8000112.2L102 H103 I109 Q110L102-Y106 HydrophobicContact CD2-CE2 4.12Å; L102-Y106 HydrophobicContact CG-CD2 4.38Å; L102-Y106 HydrophobicContact CG-CE2 4.09Å; L102-Y106 WeakPolarHBondContact O-CD2 3.5Å; L102-Y106 PolarHBondContact O-N 3.43Å; H103-Y106 CarbonylContact O-C 3.58Å; H103-Y106 PolarHBondContact O-N 3.07Å; Y106-I109 PolarHBondContact O-N 3.12Å; Y106-Q110 PolarHBondContact O-N 3.47Å
107R56.2Low53.8Low73 Ų7365.3 Ų65.328%0.27530%0.303SS..Hα-helixtrans-68.7-37.3174.2-158.6177.7-170.9-156.7-1.7111.5H103 I105 I109 Q110 I111 L142H103-R107 VanDerWaalsContact O-CB 3.23Å; H103-R107 WeakPolarHBondContact O-CB 3.25Å; H103-R107 PolarHBondContact O-N 3.28Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.06Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-Q110 CarbonylContact O-C 3.58Å; R107-Q110 PolarHBondContact O-N 2.88Å; R107-I111 HydrophobicContact CG-CD1 4.21Å; R107-I111 WeakPolarHBondContact O-CB 3.26Å; R107-I111 WeakPolarHBondContact O-CD1 3.45Å; R107-I111 WeakPolarHBondContact O-CG1 3.42Å; R107-I111 PolarHBondContact O-N 3.42Å; R107-L142 VanDerWaalsContact CZ-O 3.26Å; R107-L142 PolarHBondContact NH1-O 2.7Å; R107-L142 PolarHBondContact NH2-O 3.37Å
108S56.8Low54.8Low4 Ų466.3 Ų66.33%0.02831%0.305CS..Hα-helixtrans-66.2-35.3173.667.50000112.7D104 I105 I111 M112 I260 F269D104-S108 WeakPolarHBondContact O-CB 3.37Å; D104-S108 PolarHBondContact O-N 2.82Å; D104-S108 PolarHBondContact O-OG 3.4Å; I105-S108 WeakPolarHBondContact CA-OG 3.06Å; I105-S108 PolarHBondContact O-N 3.44Å; I105-S108 VanDerWaalsContact O-N 3.11Å; I105-S108 PolarHBondContact O-OG 3.02Å; S108-I111 PolarHBondContact O-N 3.39Å; S108-M112 WeakPolarHBondContact O-CB 3.36Å; S108-M112 PolarHBondContact O-N 3.49Å; S108-I260 WeakPolarHBondContact OG-CD1 3.12Å; S108-F269 VanDerWaalsContact CB-CE2 3.46Å
109I55.9Low56.1Low24 Ų2463.9 Ų63.912%0.12329%0.289CS..Hα-helixtrans-69.8-39.4171.9-64.8165.6000110.3I105 Y106 R107 M112 R113 F229 I260I105-I109 HydrophobicContact CG2-CD1 3.99Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.85Å; Y106-I109 PolarHBondContact O-N 3.12Å; R107-I109 VanDerWaalsContact C-N 3.34Å; I109-M112 PolarHBondContact O-N 3.29Å; I109-R113 WeakPolarHBondContact O-CD 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.28Å; I109-R113 WeakPolarHBondContact O-CG 3.32Å; I109-R113 PolarHBondContact O-N 2.96Å; I109-F229 HydrophobicContact CD1-CD1 4.03Å; I109-F229 HydrophobicContact CD1-CE1 3.82Å; I109-F229 HydrophobicContact CD1-CE2 4.4Å; I109-F229 HydrophobicContact CD1-CG 4.41Å; I109-F229 HydrophobicContact CD1-CZ 4.02Å; I109-I260 HydrophobicContact CG1-CD1 4.33Å
110Q61.3Low57.2Low108 Ų10859.6 Ų59.651%0.50527%0.272SS..Hα-helixtrans-63.1-44.8171.8-175.8179.6-15.200111.8Y106 R107 M112 R113 D114Y106-Q110 PolarHBondContact O-N 3.47Å; R107-Q110 CarbonylContact O-C 3.58Å; R107-Q110 PolarHBondContact O-N 2.88Å; Q110-M112 VanDerWaalsContact C-N 3.29Å; Q110-M112 PolarHBondContact O-N 2.86Å; Q110-R113 CarbonylContact O-C 3.6Å; Q110-R113 WeakPolarHBondContact O-CA 3.38Å; Q110-R113 WeakPolarHBondContact O-CB 3.27Å; Q110-R113 PolarHBondContact O-N 3.49Å; Q110-D114 PolarHBondContact NE2-OD2 3.4Å; Q110-D114 VanDerWaalsContact O-CG 3.3Å; Q110-D114 PolarHBondContact O-N 2.97Å
111I63.3Low58Low23 Ų2362 Ų6212%0.11829%0.285CS..Hα-helixtrans-59.2-41.9175-72.6165.8000110.3R107 S108 R113 F115 L139R107-I111 HydrophobicContact CG-CD1 4.21Å; R107-I111 WeakPolarHBondContact O-CB 3.26Å; R107-I111 WeakPolarHBondContact O-CD1 3.45Å; R107-I111 WeakPolarHBondContact O-CG1 3.42Å; R107-I111 PolarHBondContact O-N 3.42Å; S108-I111 PolarHBondContact O-N 3.39Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.39Å; I111-F115 WeakPolarHBondContact O-CB 3.47Å; I111-F115 PolarHBondContact O-N 3.21Å; I111-L139 HydrophobicContact CB-CD2 4.33Å; I111-L139 HydrophobicContact CD1-CD2 3.92Å; I111-L139 HydrophobicContact CG1-CD2 3.67Å; I111-L139 HydrophobicContact CG2-CD1 3.49Å; I111-L139 VanDerWaalsContact CG2-CD1 3.49Å; I111-L139 HydrophobicContact CG2-CD2 3.8Å; I111-L139 HydrophobicContact CG2-CG 4.25Å
112M62.7Low58.6Low4 Ų467 Ų672%0.0230%0.304CS..Hα-helixtrans-63.4-36.6172.9-178.264.893.700112.1S108 I109 Q110 N116 F237 I260 L267S108-M112 WeakPolarHBondContact O-CB 3.36Å; S108-M112 PolarHBondContact O-N 3.49Å; I109-M112 PolarHBondContact O-N 3.29Å; Q110-M112 VanDerWaalsContact C-N 3.29Å; Q110-M112 PolarHBondContact O-N 2.86Å; M112-N116 WeakPolarHBondContact CG-ND2 3.35Å; M112-N116 WeakPolarHBondContact O-CB 3.44Å; M112-N116 PolarHBondContact O-N 3.19Å; M112-N116 PolarHBondContact O-ND2 3.31Å; M112-N116 PolarHBondContact SD-ND2 3.21Å; M112-F237 HydrophobicContact CG-CD1 4.04Å; M112-F237 HydrophobicContact CG-CE1 3.73Å; M112-I260 HydrophobicContact CE-CB 3.95Å; M112-I260 HydrophobicContact CE-CG2 3.85Å; M112-I260 VanDerWaalsContact CE-O 3.27Å; M112-I260 WeakPolarHBondContact CE-O 3.38Å; M112-L267 HydrophobicContact CE-CB 3.58Å; M112-L267 HydrophobicContact SD-CB 4.39Å
113R64.2Low59Low92 Ų9270.5 Ų70.535%0.34732%0.318SS..Hα-helixtrans-68-50.3175.5-70.1158.960.3127.911111.8I109 Q110 I111 F115 N116 Y117 D231I109-R113 WeakPolarHBondContact O-CD 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.28Å; I109-R113 WeakPolarHBondContact O-CG 3.32Å; I109-R113 PolarHBondContact O-N 2.96Å; Q110-R113 CarbonylContact O-C 3.6Å; Q110-R113 WeakPolarHBondContact O-CA 3.38Å; Q110-R113 WeakPolarHBondContact O-CB 3.27Å; Q110-R113 PolarHBondContact O-N 3.49Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.39Å; R113-F115 VanDerWaalsContact C-N 3.28Å; R113-F115 PolarHBondContact O-N 3.14Å; R113-N116 PolarHBondContact O-N 3.17Å; R113-Y117 WeakPolarHBondContact O-CB 3.44Å; R113-Y117 PolarHBondContact O-N 2.9Å; R113-D231 IonicContact CZ-OD2 3.78Å; R113-D231 IonicContact NH1-OD2 2.67Å; R113-D231 PolarHBondContact NH1-OD2 2.62Å
114D64.2Low59Low75 Ų7569 Ų6940%0.40133%0.332SS..Hα-helixtrans-66.2-34.2-179-62.1-14000110.6Q110 W118Q110-D114 PolarHBondContact NE2-OD2 3.4Å; Q110-D114 VanDerWaalsContact O-CG 3.3Å; Q110-D114 PolarHBondContact O-N 2.97Å; D114-W118 VanDerWaalsContact O-CB 3.26Å; D114-W118 WeakPolarHBondContact O-CB 3.48Å; D114-W118 PolarHBondContact O-N 3.06Å
115F65.7Low58.6Low0 Ų074.7 Ų74.70%036%0.359CS..Hα-helixtrans-70.6-44.5173.7179.4-106.8000113.1I111 R113 W118 L119 F132 Y135 Y171 L267I111-F115 WeakPolarHBondContact O-CB 3.47Å; I111-F115 PolarHBondContact O-N 3.21Å; R113-F115 VanDerWaalsContact C-N 3.28Å; R113-F115 PolarHBondContact O-N 3.14Å; F115-W118 HydrophobicContact CD2-CE3 4.17Å; F115-W118 HydrophobicContact CE2-CE3 4.12Å; F115-W118 HydrophobicContact CE2-CZ3 4.17Å; F115-W118 PolarHBondContact O-N 3.41Å; F115-L119 HydrophobicContact CE1-CD1 4.43Å; F115-L119 HydrophobicContact CE2-CD1 4.38Å; F115-L119 HydrophobicContact CZ-CD1 3.97Å; F115-L119 WeakPolarHBondContact O-CB 3.37Å; F115-L119 PolarHBondContact O-N 3.18Å; F115-F132 AromaticContact CE2-CD1 3.87Å; F115-F132 HydrophobicContact CE2-CD1 3.87Å; F115-F132 AromaticContact CE2-CE1 3.94Å; F115-F132 HydrophobicContact CE2-CE1 3.94Å; F115-F132 AromaticContact CZ-CD1 3.98Å; F115-F132 HydrophobicContact CZ-CD1 3.98Å; F115-F132 AromaticContact CZ-CE1 3.83Å; F115-F132 HydrophobicContact CZ-CE1 3.83Å; F115-Y135 HydrophobicContact CB-CE1 3.99Å; F115-Y135 AromaticContact CD2-CD1 3.76Å; F115-Y135 HydrophobicContact CD2-CD1 3.76Å; F115-Y135 AromaticContact CD2-CE1 3.5Å; F115-Y135 HydrophobicContact CD2-CE1 3.5Å; F115-Y135 VanDerWaalsContact CD2-CE1 3.5Å; F115-Y135 HydrophobicContact CE2-CD1 4.31Å; F115-Y135 HydrophobicContact CE2-CE1 4.46Å; F115-Y135 HydrophobicContact CG-CE1 4.19Å; F115-Y135 PolarHBondContact N-OH 3.04Å; F115-Y171 HydrophobicContact CE1-CD1 4.06Å; F115-Y171 AromaticContact CE1-CD2 3.64Å; F115-Y171 HydrophobicContact CE1-CD2 3.64Å; F115-Y171 AromaticContact CE1-CE1 3.93Å; F115-Y171 HydrophobicContact CE1-CE1 3.93Å; F115-Y171 AromaticContact CE1-CE2 3.52Å; F115-Y171 HydrophobicContact CE1-CE2 3.52Å; F115-Y171 AromaticContact CE1-CG 3.93Å; F115-Y171 HydrophobicContact CE1-CG 3.93Å; F115-Y171 AromaticContact CE1-CZ 3.65Å; F115-Y171 AromaticContact CZ-CD1 3.53Å; F115-Y171 HydrophobicContact CZ-CD1 3.53Å; F115-Y171 AromaticContact CZ-CD2 3.96Å; F115-Y171 HydrophobicContact CZ-CD2 3.96Å; F115-Y171 AromaticContact CZ-CE1 3.56Å; F115-Y171 HydrophobicContact CZ-CE1 3.56Å; F115-Y171 HydrophobicContact CZ-CE2 4.01Å; F115-Y171 AromaticContact CZ-CG 3.75Å; F115-Y171 HydrophobicContact CZ-CG 3.75Å; F115-Y171 AromaticContact CZ-CZ 3.8Å; F115-L267 HydrophobicContact CD1-CD1 4.31Å
116N65.6Low58.5Low20 Ų2081.7 Ų81.711%0.10740%0.397CS..Hα-helixtrans-64.3-43.2175.1-80.2-64.5000111.1M112 R113 W118 L119 D120 R265M112-N116 WeakPolarHBondContact CG-ND2 3.35Å; M112-N116 WeakPolarHBondContact O-CB 3.44Å; M112-N116 PolarHBondContact O-N 3.19Å; M112-N116 PolarHBondContact O-ND2 3.31Å; M112-N116 PolarHBondContact SD-ND2 3.21Å; R113-N116 PolarHBondContact O-N 3.17Å; N116-W118 VanDerWaalsContact C-N 3.33Å; N116-W118 PolarHBondContact O-N 3.35Å; N116-L119 WeakPolarHBondContact O-CB 3.4Å; N116-L119 PolarHBondContact O-N 3.42Å; N116-L119 VanDerWaalsContact O-N 3.11Å; N116-D120 PolarHBondContact O-N 2.92Å; N116-R265 WeakPolarHBondContact OD1-CD 3.47Å; N116-R265 PolarHBondContact OD1-NH1 2.86Å
117Y64.3Low58.5Low158 Ų15876 Ų7662%0.6238%0.384SS*.Hα-helixtrans-59.3-44.2174.5-176.7-101.5000111.8R113 L119 D120 D121R113-Y117 WeakPolarHBondContact O-CB 3.44Å; R113-Y117 PolarHBondContact O-N 2.9Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 2.63Å; Y117-D120 PolarHBondContact O-N 3.41Å; Y117-D121 WeakPolarHBondContact O-CB 3.29Å; Y117-D121 PolarHBondContact O-N 2.75Å
118W64.4Low58.7Low58 Ų5875.2 Ų75.222%0.2239%0.39CS..Hα-helixtrans-64.3-33.1174.5-17971.7000113.1D114 F115 N116 Y122 F132D114-W118 VanDerWaalsContact O-CB 3.26Å; D114-W118 WeakPolarHBondContact O-CB 3.48Å; D114-W118 PolarHBondContact O-N 3.06Å; F115-W118 HydrophobicContact CD2-CE3 4.17Å; F115-W118 HydrophobicContact CE2-CE3 4.12Å; F115-W118 HydrophobicContact CE2-CZ3 4.17Å; F115-W118 PolarHBondContact O-N 3.41Å; N116-W118 VanDerWaalsContact C-N 3.33Å; N116-W118 PolarHBondContact O-N 3.35Å; W118-Y122 AromaticContact CD1-CD2 3.93Å; W118-Y122 AromaticContact CD1-CE2 3.95Å; W118-Y122 AromaticContact NE1-CD2 3.59Å; W118-Y122 AromaticContact NE1-CE2 3.42Å; W118-Y122 WeakPolarHBondContact O-CB 3.39Å; W118-Y122 WeakPolarHBondContact O-CD2 3.43Å; W118-F132 HydrophobicContact CH2-CE1 4.49Å; W118-F132 AromaticContact CZ3-CD1 3.97Å; W118-F132 HydrophobicContact CZ3-CD1 3.97Å; W118-F132 AromaticContact CZ3-CE1 3.77Å; W118-F132 HydrophobicContact CZ3-CE1 3.77Å; W118-F132 HydrophobicContact CZ3-CZ 4.3Å
119L63.6Low58.9Low23 Ų2381.1 Ų81.112%0.1241%0.412CS..Hα-helixtrans-69.5-48177.2-149.981.2000111.7F115 N116 Y117 D121 Y122 E123 F132 R265F115-L119 HydrophobicContact CE1-CD1 4.43Å; F115-L119 HydrophobicContact CE2-CD1 4.38Å; F115-L119 HydrophobicContact CZ-CD1 3.97Å; F115-L119 WeakPolarHBondContact O-CB 3.37Å; F115-L119 PolarHBondContact O-N 3.18Å; N116-L119 WeakPolarHBondContact O-CB 3.4Å; N116-L119 PolarHBondContact O-N 3.42Å; N116-L119 VanDerWaalsContact O-N 3.11Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 2.63Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.3Å; L119-Y122 PolarHBondContact O-N 2.71Å; L119-E123 PolarHBondContact O-N 3.37Å; L119-F132 HydrophobicContact CD1-CE1 3.41Å; L119-F132 VanDerWaalsContact CD1-CE1 3.41Å; L119-F132 HydrophobicContact CD1-CZ 3.67Å; L119-R265 VanDerWaalsContact CD2-CZ 3.48Å
120D63.5Low59.2Low88 Ų8887.6 Ų87.647%0.47144%0.439SS..Hα-helixtrans-67.1-32.1-175.5-60.2-13.2000111.3N116 Y117 Y122 R265N116-D120 PolarHBondContact O-N 2.92Å; Y117-D120 PolarHBondContact O-N 3.41Å; D120-Y122 VanDerWaalsContact C-N 3.28Å; D120-Y122 PolarHBondContact O-N 2.75Å; D120-R265 IonicContact OD1-CZ 2.66Å; D120-R265 IonicContact OD1-NH1 2.88Å; D120-R265 PolarHBondContact OD1-NH1 3.3Å; D120-R265 IonicContact OD1-NH2 3.19Å; D120-R265 PolarHBondContact OD1-NH2 2.97Å; D120-R265 IonicContact OD2-NH1 3.21Å
121D58.6Low59.4Low119 Ų11986.6 Ų86.664%0.63643%0.434SS*.THydrogen-bonded Turntrans-77.7-9.2174.7-148.843.7000112.9Y117 L119Y117-D121 WeakPolarHBondContact O-CB 3.29Å; Y117-D121 PolarHBondContact O-N 2.75Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.3Å
122Y55.5Low59.5Low124 Ų12486.3 Ų86.349%0.48643%0.432SS..THydrogen-bonded Turntrans-113.33.3-176.8-97.6-99000115.8W118 L119 D120 G124 M125W118-Y122 AromaticContact CD1-CD2 3.93Å; W118-Y122 AromaticContact CD1-CE2 3.95Å; W118-Y122 AromaticContact NE1-CD2 3.59Å; W118-Y122 AromaticContact NE1-CE2 3.42Å; W118-Y122 WeakPolarHBondContact O-CB 3.39Å; W118-Y122 WeakPolarHBondContact O-CD2 3.43Å; L119-Y122 PolarHBondContact O-N 2.71Å; D120-Y122 VanDerWaalsContact C-N 3.28Å; D120-Y122 PolarHBondContact O-N 2.75Å; Y122-G124 PolarHBondContact O-N 2.76Å; Y122-M125 PolarHBondContact O-N 3.29Å
123E51.8Low59.7Low153 Ų15388.3 Ų88.372%0.71544%0.442SS*.THydrogen-bonded Turntrans-59-11.2-179.2-64.7-161.6145.500114.6L119 M125 R265L119-E123 PolarHBondContact O-N 3.37Å; E123-M125 PolarHBondContact O-N 3.21Å; E123-R265 IonicContact OE1-NH2 3.96Å
124G48.2Very low59.9Low78 Ų7888 Ų8880%0.80445%0.45SS*.THydrogen-bonded Turntrans-72.6-10.9176.900000116.9Y122Y122-G124 PolarHBondContact O-N 2.76Å
125M41Very low59.9Low166 Ų16686.8 Ų86.882%0.81844%0.44SS*.SBendtrans-146148.1175-82.5-159.2168.800113.7Y122 E123 G127Y122-M125 PolarHBondContact O-N 3.29Å; E123-M125 PolarHBondContact O-N 3.21Å; M125-G127 VanDerWaalsContact C-N 3.33Å; M125-G127 PolarHBondContact O-N 3.43Å
126N48.6Very low60.1Low173 Ų17386.8 Ų86.893%0.92544%0.44SS*.  trans-60.387.6173.8-82.3-36.7000111.8S128N126-S128 PolarHBondContact O-N 3.18Å; N126-S128 VanDerWaalsContact O-N 3.11Å
127G52.9Low60.1Low32 Ų3288.4 Ų88.433%0.3345%0.448SS..  trans-58.1112.417800000111.1M125M125-G127 VanDerWaalsContact C-N 3.33Å; M125-G127 PolarHBondContact O-N 3.43Å
128S59.9Low60.1Low57 Ų5784.9 Ų84.940%0.39944%0.439SS..  trans-65.5141.1179.169.80000110.1N126 K130 Q131N126-S128 PolarHBondContact O-N 3.18Å; N126-S128 VanDerWaalsContact O-N 3.11Å; S128-K130 PolarHBondContact O-N 2.88Å; S128-Q131 WeakPolarHBondContact O-CB 3.27Å; S128-Q131 PolarHBondContact O-N 3.42Å; S128-Q131 PolarHBondContact OG-OE1 2.91Å
129R62.5Low60Low129 Ų12983 Ų8349%0.48743%0.434SS..Hα-helixtrans-46.7-32.7176.6166.1168.3166.7168.53.2113.8Q131 F132 E133 M178R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 3.17Å; R129-F132 WeakPolarHBondContact O-CB 3.27Å; R129-F132 PolarHBondContact O-N 3.4Å; R129-E133 HydrophobicContact CG-CG 4.27Å; R129-E133 IonicContact CZ-OE1 2.71Å; R129-E133 VanDerWaalsContact CZ-OE1 3.25Å; R129-E133 IonicContact NE-OE1 3.69Å; R129-E133 PolarHBondContact NE-OE1 3.08Å; R129-E133 IonicContact NE-OE2 2.69Å; R129-E133 IonicContact NH2-OE1 3.3Å; R129-E133 PolarHBondContact NH2-OE1 3.32Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.47Å; R129-M178 WeakPolarHBondContact CG-O 3.4Å
130K61.5Low60.1Low159 Ų15982.1 Ų82.169%0.69143%0.429SS*.Hα-helixtrans-62.8-34.3175.8-65.2-173177.2-174.50113.7S128 E133 V134S128-K130 PolarHBondContact O-N 2.88Å; K130-E133 PolarHBondContact O-N 2.73Å; K130-V134 WeakPolarHBondContact O-CB 3.41Å; K130-V134 VanDerWaalsContact O-CG2 3.27Å; K130-V134 WeakPolarHBondContact O-CG2 3.42Å; K130-V134 PolarHBondContact O-N 2.94Å
131Q64.7Low59.8Low87 Ų8783.3 Ų83.341%0.40743%0.432SS..Hα-helixtrans-68.5-40.9176.6-70.7158.8-74.700110.9S128 R129 V134 Y135S128-Q131 WeakPolarHBondContact O-CB 3.27Å; S128-Q131 PolarHBondContact O-N 3.42Å; S128-Q131 PolarHBondContact OG-OE1 2.91Å; R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 3.17Å; Q131-V134 PolarHBondContact O-N 3Å; Q131-Y135 PolarHBondContact O-N 3.39Å
132F66.3Low59.5Low17 Ų1781.8 Ų81.88%0.07542%0.423CS..Hα-helixtrans-63.5-44.9172.2-72-83.6000112.5F115 W118 L119 R129 V134 Y135 L136 Y171 A179F115-F132 AromaticContact CE2-CD1 3.87Å; F115-F132 HydrophobicContact CE2-CD1 3.87Å; F115-F132 AromaticContact CE2-CE1 3.94Å; F115-F132 HydrophobicContact CE2-CE1 3.94Å; F115-F132 AromaticContact CZ-CD1 3.98Å; F115-F132 HydrophobicContact CZ-CD1 3.98Å; F115-F132 AromaticContact CZ-CE1 3.83Å; F115-F132 HydrophobicContact CZ-CE1 3.83Å; W118-F132 HydrophobicContact CH2-CE1 4.49Å; W118-F132 AromaticContact CZ3-CD1 3.97Å; W118-F132 HydrophobicContact CZ3-CD1 3.97Å; W118-F132 AromaticContact CZ3-CE1 3.77Å; W118-F132 HydrophobicContact CZ3-CE1 3.77Å; W118-F132 HydrophobicContact CZ3-CZ 4.3Å; L119-F132 HydrophobicContact CD1-CE1 3.41Å; L119-F132 VanDerWaalsContact CD1-CE1 3.41Å; L119-F132 HydrophobicContact CD1-CZ 3.67Å; R129-F132 WeakPolarHBondContact O-CB 3.27Å; R129-F132 PolarHBondContact O-N 3.4Å; F132-V134 VanDerWaalsContact C-N 3.32Å; F132-V134 PolarHBondContact O-N 3.07Å; F132-Y135 PolarHBondContact O-N 3.29Å; F132-L136 WeakPolarHBondContact O-CB 3.37Å; F132-L136 WeakPolarHBondContact O-CG 3.5Å; F132-L136 PolarHBondContact O-N 3.3Å; F132-Y171 HydrophobicContact CD1-CD1 4.14Å; F132-Y171 HydrophobicContact CD1-CE1 4.37Å; F132-Y171 HydrophobicContact CE1-CD1 4.28Å; F132-Y171 HydrophobicContact CE1-CE1 4.03Å; F132-A179 HydrophobicContact CB-CB 3.48Å; F132-A179 VanDerWaalsContact CB-CB 3.48Å
133E67.4Low59.2Low47 Ų4776.8 Ų76.822%0.2241%0.406CS..Hα-helixtrans-63.3-35.5175.7-70.9171.9160.300111.6R129 K130 M137 A179 V181R129-E133 HydrophobicContact CG-CG 4.27Å; R129-E133 IonicContact CZ-OE1 2.71Å; R129-E133 VanDerWaalsContact CZ-OE1 3.25Å; R129-E133 IonicContact NE-OE1 3.69Å; R129-E133 PolarHBondContact NE-OE1 3.08Å; R129-E133 IonicContact NE-OE2 2.69Å; R129-E133 IonicContact NH2-OE1 3.3Å; R129-E133 PolarHBondContact NH2-OE1 3.32Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 3.47Å; K130-E133 PolarHBondContact O-N 2.73Å; E133-M137 WeakPolarHBondContact O-CB 3.4Å; E133-M137 WeakPolarHBondContact O-CG 3.45Å; E133-M137 PolarHBondContact O-N 2.89Å; E133-A179 HydrophobicContact CG-CB 3.71Å; E133-V181 HydrophobicContact CB-CG2 4.33Å; E133-V181 WeakPolarHBondContact O-CG2 3.47Å
134V67Low58.8Low86 Ų8674.4 Ų74.452%0.52140%0.395SS..Hα-helixtrans-67.9-41.5172.8166.30000112.4K130 Q131 F132 M137 N138K130-V134 WeakPolarHBondContact O-CB 3.41Å; K130-V134 VanDerWaalsContact O-CG2 3.27Å; K130-V134 WeakPolarHBondContact O-CG2 3.42Å; K130-V134 PolarHBondContact O-N 2.94Å; Q131-V134 PolarHBondContact O-N 3Å; F132-V134 VanDerWaalsContact C-N 3.32Å; F132-V134 PolarHBondContact O-N 3.07Å; V134-M137 WeakPolarHBondContact O-CB 3.44Å; V134-M137 PolarHBondContact O-N 3.47Å; V134-N138 PolarHBondContact O-N 3.44Å
135Y65.5Low58.2Low48 Ų4874.9 Ų74.919%0.18838%0.384CS..Hα-helixtrans-63.2-45.7176.2-174.8-95.4000111.3F115 Q131 F132 M137 N138 L139F115-Y135 HydrophobicContact CB-CE1 3.99Å; F115-Y135 AromaticContact CD2-CD1 3.76Å; F115-Y135 HydrophobicContact CD2-CD1 3.76Å; F115-Y135 AromaticContact CD2-CE1 3.5Å; F115-Y135 HydrophobicContact CD2-CE1 3.5Å; F115-Y135 VanDerWaalsContact CD2-CE1 3.5Å; F115-Y135 HydrophobicContact CE2-CD1 4.31Å; F115-Y135 HydrophobicContact CE2-CE1 4.46Å; F115-Y135 HydrophobicContact CG-CE1 4.19Å; F115-Y135 PolarHBondContact N-OH 3.04Å; Q131-Y135 PolarHBondContact O-N 3.39Å; F132-Y135 PolarHBondContact O-N 3.29Å; Y135-M137 VanDerWaalsContact C-N 3.34Å; Y135-M137 PolarHBondContact O-N 2.95Å; Y135-N138 PolarHBondContact O-N 2.94Å; Y135-L139 HydrophobicContact CD1-CD1 3.66Å; Y135-L139 HydrophobicContact CD1-CG 4.25Å; Y135-L139 HydrophobicContact CE1-CD1 3.43Å; Y135-L139 VanDerWaalsContact CE1-CD1 3.43Å; Y135-L139 HydrophobicContact CE1-CD2 4.48Å; Y135-L139 HydrophobicContact CE1-CG 4.05Å; Y135-L139 WeakPolarHBondContact O-CG 3.42Å; Y135-L139 PolarHBondContact O-N 2.97Å
136L68.5Low57.7Low1 Ų172.7 Ų72.71%0.00537%0.374CS..Hα-helixtrans-66-31.5175.7-70.6165.3000113.1F132 L139 L140 I169 A179 V181 L267F132-L136 WeakPolarHBondContact O-CB 3.37Å; F132-L136 WeakPolarHBondContact O-CG 3.5Å; F132-L136 PolarHBondContact O-N 3.3Å; L136-L139 HydrophobicContact CD2-CD1 4.12Å; L136-L139 PolarHBondContact O-N 3.38Å; L136-L140 WeakPolarHBondContact O-CB 3.25Å; L136-L140 PolarHBondContact O-N 3.05Å; L136-I169 HydrophobicContact CD2-CB 4Å; L136-I169 HydrophobicContact CD2-CG2 3.61Å; L136-A179 HydrophobicContact CD1-CB 3.56Å; L136-V181 HydrophobicContact CB-CB 3.95Å; L136-V181 HydrophobicContact CB-CG2 3.53Å; L136-L267 HydrophobicContact CD2-CD1 4.5Å
137M65.9Low56.8Low53 Ų5372 Ų7226%0.26137%0.366SS..Hα-helixtrans-63-47.4169.9-80-75.1179.600111.8E133 V134 Y135 L139 L140 Q141 V181 T186E133-M137 WeakPolarHBondContact O-CB 3.4Å; E133-M137 WeakPolarHBondContact O-CG 3.45Å; E133-M137 PolarHBondContact O-N 2.89Å; V134-M137 WeakPolarHBondContact O-CB 3.44Å; V134-M137 PolarHBondContact O-N 3.47Å; Y135-M137 VanDerWaalsContact C-N 3.34Å; Y135-M137 PolarHBondContact O-N 2.95Å; M137-L139 VanDerWaalsContact C-N 3.28Å; M137-L139 PolarHBondContact O-N 3.29Å; M137-L140 PolarHBondContact O-N 2.96Å; M137-Q141 WeakPolarHBondContact O-CB 3.4Å; M137-Q141 WeakPolarHBondContact O-CG 3.47Å; M137-Q141 PolarHBondContact O-N 3.49Å; M137-V181 HydrophobicContact CB-CG1 4.5Å; M137-V181 HydrophobicContact CE-CG1 3.7Å; M137-V181 HydrophobicContact CE-CG2 4.34Å; M137-V181 HydrophobicContact CG-CG1 3.81Å; M137-V181 HydrophobicContact CG-CG2 4.03Å; M137-V181 HydrophobicContact SD-CG1 3.47Å; M137-V181 WeakPolarHBondContact SD-CG1 3.47Å; M137-T186 HydrophobicContact CE-CG2 3.52Å; M137-T186 HydrophobicContact SD-CG2 3.78Å
138N64.7Low55.6Low84 Ų8476.7 Ų76.745%0.44938%0.382SS..Hα-helixtrans-61.2-40177.1-68.8-15.6000111.2V134 Y135 Q141 L142V134-N138 PolarHBondContact O-N 3.44Å; Y135-N138 PolarHBondContact O-N 2.94Å; N138-Q141 PolarHBondContact O-N 2.71Å; N138-L142 WeakPolarHBondContact O-CB 3.28Å; N138-L142 VanDerWaalsContact O-CD1 3.3Å; N138-L142 WeakPolarHBondContact O-CD1 3.41Å; N138-L142 PolarHBondContact O-N 3.45Å
139L63.3Low54.2Low20 Ų2084.1 Ų84.111%0.10540%0.402CS..Hα-helixtrans-62.2-44.6175-71.8174.7000113.2I111 Y135 L136 M137 L142 S143 I169I111-L139 HydrophobicContact CB-CD2 4.33Å; I111-L139 HydrophobicContact CD1-CD2 3.92Å; I111-L139 HydrophobicContact CG1-CD2 3.67Å; I111-L139 HydrophobicContact CG2-CD1 3.49Å; I111-L139 VanDerWaalsContact CG2-CD1 3.49Å; I111-L139 HydrophobicContact CG2-CD2 3.8Å; I111-L139 HydrophobicContact CG2-CG 4.25Å; Y135-L139 HydrophobicContact CD1-CD1 3.66Å; Y135-L139 HydrophobicContact CD1-CG 4.25Å; Y135-L139 HydrophobicContact CE1-CD1 3.43Å; Y135-L139 VanDerWaalsContact CE1-CD1 3.43Å; Y135-L139 HydrophobicContact CE1-CD2 4.48Å; Y135-L139 HydrophobicContact CE1-CG 4.05Å; Y135-L139 WeakPolarHBondContact O-CG 3.42Å; Y135-L139 PolarHBondContact O-N 2.97Å; L136-L139 HydrophobicContact CD2-CD1 4.12Å; L136-L139 PolarHBondContact O-N 3.38Å; M137-L139 VanDerWaalsContact C-N 3.28Å; M137-L139 PolarHBondContact O-N 3.29Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.01Å; L139-S143 PolarHBondContact O-N 3.03Å; L139-I169 HydrophobicContact CB-CD1 3.91Å
140L64Low52.7Low3 Ų385 Ų852%0.01642%0.416CS..Hα-helixtrans-71.1-30.7177.9-17062.2000112.1L136 M137 S143 L166 I169 V181 N183L136-L140 WeakPolarHBondContact O-CB 3.25Å; L136-L140 PolarHBondContact O-N 3.05Å; M137-L140 PolarHBondContact O-N 2.96Å; L140-S143 PolarHBondContact O-N 2.93Å; L140-S143 PolarHBondContact O-OG 3.18Å; L140-L166 HydrophobicContact CD1-CD2 3.89Å; L140-L166 HydrophobicContact CD1-CG 3.88Å; L140-I169 HydrophobicContact CB-CD1 4.36Å; L140-I169 HydrophobicContact CD1-CG1 4.34Å; L140-V181 HydrophobicContact CB-CG1 4.39Å; L140-V181 HydrophobicContact CD2-CG1 3.83Å; L140-N183 HydrophobicContact CD2-CB 4.43Å
141Q58.7Low51.2Low113 Ų11382.8 Ų82.853%0.52842%0.417SS..Hα-helixtrans-71.2-31.2170.1-73-176.2-10.200112.3M137 N138 S143 Q144M137-Q141 WeakPolarHBondContact O-CB 3.4Å; M137-Q141 WeakPolarHBondContact O-CG 3.47Å; M137-Q141 PolarHBondContact O-N 3.49Å; N138-Q141 PolarHBondContact O-N 2.71Å; Q141-S143 PolarHBondContact O-N 3.35Å; Q141-Q144 WeakPolarHBondContact O-CB 3.41Å; Q141-Q144 PolarHBondContact O-N 3.01Å
142L51.1Low49.6Very low88 Ų8885.1 Ų85.146%0.46143%0.432SS..THydrogen-bonded Turntrans-66.7-11.1172.4-106.274.5000113.9R107 N138 L139R107-L142 VanDerWaalsContact CZ-O 3.26Å; R107-L142 PolarHBondContact NH1-O 2.7Å; R107-L142 PolarHBondContact NH2-O 3.37Å; N138-L142 WeakPolarHBondContact O-CB 3.28Å; N138-L142 VanDerWaalsContact O-CD1 3.3Å; N138-L142 WeakPolarHBondContact O-CD1 3.41Å; N138-L142 PolarHBondContact O-N 3.45Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.01Å
143S49.6Very low48Very low18 Ų1891.5 Ų91.513%0.12647%0.466CS..THydrogen-bonded Turntrans-90.3-1.4167.977.50000113.9L139 L140 Q141 S164L139-S143 PolarHBondContact O-N 3.03Å; L140-S143 PolarHBondContact O-N 2.93Å; L140-S143 PolarHBondContact O-OG 3.18Å; Q141-S143 PolarHBondContact O-N 3.35Å; S143-S164 PolarHBondContact O-OG 3.24Å; S143-S164 VanDerWaalsContact O-OG 3.06Å
144Q42.7Very low46.2Very low103 Ų10396.7 Ų96.748%0.48149%0.488SS..SBendtrans-88.4149.1169.9-59.2-166.86.200111.1Q141 I146Q141-Q144 WeakPolarHBondContact O-CB 3.41Å; Q141-Q144 PolarHBondContact O-N 3.01Å; Q144-I146 PolarHBondContact O-N 3.01Å; Q144-I146 VanDerWaalsContact O-N 3.16Å
145P35.5Very low44.4Very low88 Ų8899.1 Ų99.157%0.57150%0.498SS*.  trans-68.7112176.927.7-33.8000110.7H147P145-H147 PolarHBondContact O-N 3.41Å; P145-H147 VanDerWaalsContact O-N 3.12Å
146I31.4Very low42.8Very low120 Ų120105.9 Ų105.962%0.61553%0.531SS*.  trans-72.3106.2-178.4-50.8177.7000109.6Q144 I148Q144-I146 PolarHBondContact O-N 3.01Å; Q144-I146 VanDerWaalsContact O-N 3.16Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 HydrophobicContact CB-CG1 4.31Å; I146-I148 HydrophobicContact CG2-CD1 4.44Å; I146-I148 HydrophobicContact CG2-CG1 3.66Å; I146-I148 PolarHBondContact O-N 2.98Å
147H29.2Very low40.9Very low160 Ų160111.4 Ų111.474%0.74156%0.56SS**  trans-71.886.4168.5-91.2-89.6000110.4P145 Y149P145-H147 PolarHBondContact O-N 3.41Å; P145-H147 VanDerWaalsContact O-N 3.12Å; H147-Y149 HydrophobicContact CB-CE2 4.46Å; H147-Y149 PolarHBondContact O-N 3.39Å
148I29.2Very low39Very low130 Ų130115.4 Ų115.467%0.66759%0.588SS**  trans-74.397.4177.8-57.7178.4000109.8I146 N150I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 HydrophobicContact CB-CG1 4.31Å; I146-I148 HydrophobicContact CG2-CD1 4.44Å; I146-I148 HydrophobicContact CG2-CG1 3.66Å; I146-I148 PolarHBondContact O-N 2.98Å; I148-N150 PolarHBondContact O-N 3.39Å
149Y29.3Very low37.3Very low213 Ų213115 Ų11584%0.83559%0.591SS**  trans-76.270.6165.8-81.4-90.9000110.9H147H147-Y149 HydrophobicContact CB-CE2 4.46Å; H147-Y149 PolarHBondContact O-N 3.39Å
150N30.9Very low35.6Very low146 Ų146121.7 Ų121.778%0.78163%0.627SS**  trans-156.1126.6157.6-112.3-18.8000109.5I148I148-N150 PolarHBondContact O-N 3.39Å
151T29.5Very low34.2Very low114 Ų114129.6 Ų129.670%0.69966%0.658SS**  trans-80.9175.1-176.5480000112.5
152D31Very low33.6Very low136 Ų136128.8 Ų128.873%0.72766%0.661SS**SBendtrans93.9-1.2158.2-48.9-20.5000119.8
153L32.8Very low33.5Very low150 Ų150132.4 Ų132.479%0.78567%0.673SS**SBendtrans-130.6-13.9179.2-141.473.8000118.9
154F29.4Very low33.7Very low156 Ų156133.3 Ų133.368%0.68468%0.679SS**  trans-133.235.5-170.2-85.7-77.8000116.5H156 L157F154-H156 PolarHBondContact O-N 3.14Å; F154-L157 HydrophobicContact CD1-CD1 4.26Å
155N29.2Very low34.5Very low138 Ų138132.6 Ų132.674%0.73868%0.675SS**THydrogen-bonded Turntrans-68.215.3-177-70.7-9.1000116.7
156H32.2Very low35.8Very low190 Ų190129.4 Ų129.488%0.8865%0.654SS**THydrogen-bonded Turntrans-121.66.2-177.4-88-55000115.6F154F154-H156 PolarHBondContact O-N 3.14Å
157L28.2Very low37.6Very low117 Ų117124 Ų12461%0.61363%0.626SS**  trans-121.145.6-178.3-78.3165.7000113.5F154 S159F154-L157 HydrophobicContact CD1-CD1 4.26Å; L157-S159 PolarHBondContact O-N 3.24Å
158T26Very low39.5Very low137 Ų137116.4 Ų116.484%0.8459%0.591SS**  trans-91.575.4174.345.60000112.2
159S29.9Very low41.7Very low75 Ų75110.2 Ų110.252%0.52456%0.559SS.*  trans-105.3149.2163.759.40000110.9L157 Y161L157-S159 PolarHBondContact O-N 3.24Å; S159-Y161 VanDerWaalsContact O-CD2 3.29Å; S159-Y161 WeakPolarHBondContact O-CD2 3.23Å; S159-Y161 PolarHBondContact O-N 3.47Å
160N28.4Very low44Very low160 Ų160100.1 Ų100.186%0.85652%0.519SS*.  trans-70.198.9-174.4-67-26.9000111.3T162N160-T162 PolarHBondContact O-N 2.96Å
161Y33.5Very low46.2Very low170 Ų17093.2 Ų93.267%0.66748%0.482SS*.  trans-69.4109.8174.6-74-80.1000111.3S159S159-Y161 VanDerWaalsContact O-CD2 3.29Å; S159-Y161 WeakPolarHBondContact O-CD2 3.23Å; S159-Y161 PolarHBondContact O-N 3.47Å
162T45.8Very low48.5Very low96 Ų9687.8 Ų87.859%0.58945%0.449SS*.PPolyproline II helixtrans-75.1149.4171.544.60000111.3N100 N160 S164N100-T162 PolarHBondContact ND2-OG1 3.31Å; N100-T162 VanDerWaalsContact ND2-OG1 3.15Å; N160-T162 PolarHBondContact O-N 2.96Å; T162-S164 PolarHBondContact O-N 3.16Å
163K49.5Very low50.6Low164 Ų16483.6 Ų83.671%0.71343%0.426SS*.PPolyproline II helixtrans-56.9129.6179.8-175.4-172.6174.6-160.40110.9
164S52.9Low52.5Low36 Ų3681.5 Ų81.525%0.25242%0.416SS..PPolyproline II helixtrans-70.5138.917658.10000111.7S143 T162 L166S143-S164 PolarHBondContact O-OG 3.24Å; S143-S164 VanDerWaalsContact O-OG 3.06Å; T162-S164 PolarHBondContact O-N 3.16Å; S164-L166 VanDerWaalsContact C-N 3.31Å
165H60Low54.3Low88 Ų8874.6 Ų74.641%0.40739%0.389SS..  trans-85.61.4176.3-71.3-101.6000113.8M167 F271 D272H165-M167 PolarHBondContact O-N 3.08Å; H165-F271 WeakPolarHBondContact O-CA 3.43Å; H165-D272 PolarHBondContact ND1-O 3.47Å; H165-D272 PolarHBondContact O-N 3Å
166L64.3Low56.2Low21 Ų2172.9 Ų72.911%0.1138%0.379CS..EExtended strand (participates in β ladder)trans-72.9119.5179.7-17466.5000110.7L140 S164 I169 N183 F269 F271L140-L166 HydrophobicContact CD1-CD2 3.89Å; L140-L166 HydrophobicContact CD1-CG 3.88Å; S164-L166 VanDerWaalsContact C-N 3.31Å; L166-I169 HydrophobicContact CD2-CD1 4.12Å; L166-I169 HydrophobicContact CD2-CG1 4.15Å; L166-N183 PolarHBondContact O-ND2 2.98Å; L166-N183 VanDerWaalsContact O-ND2 3.09Å; L166-F269 HydrophobicContact CD1-CB 3.9Å; L166-F269 HydrophobicContact CD1-CD1 3.89Å; L166-F269 HydrophobicContact CD1-CG 4.39Å; L166-F269 HydrophobicContact CD2-CD1 4.42Å; L166-F271 HydrophobicContact CD1-CD1 4.47Å; L166-F271 HydrophobicContact CD1-CE1 4.11Å; L166-F271 HydrophobicContact CD1-CZ 4.28Å
167M69Low58.2Low7 Ų764.3 Ų64.33%0.03434%0.339CS..EExtended strand (participates in β ladder)trans-99.8-34.8-173.4-164.5-159.58000112.4H165 N182 N183 Y184 I252 P253 V255 E270H165-M167 PolarHBondContact O-N 3.08Å; M167-N182 WeakPolarHBondContact O-CA 3.46Å; M167-N182 WeakPolarHBondContact O-CB 3.47Å; M167-N183 PolarHBondContact O-N 3.08Å; M167-Y184 HydrophobicContact CG-CD2 4.18Å; M167-Y184 HydrophobicContact CG-CE2 3.6Å; M167-Y184 HydrophobicContact SD-CD2 4.37Å; M167-Y184 HydrophobicContact SD-CE2 3.78Å; M167-I252 HydrophobicContact CE-CG2 3.88Å; M167-I252 HydrophobicContact SD-CG2 3.94Å; M167-P253 HydrophobicContact SD-CB 4.49Å; M167-P253 VanDerWaalsContact SD-CD 3.58Å; M167-P253 HydrophobicContact SD-CG 3.86Å; M167-V255 HydrophobicContact CE-CG1 4.46Å; M167-V255 HydrophobicContact CE-CG2 3.78Å; M167-V255 HydrophobicContact SD-CG2 3.46Å; M167-V255 WeakPolarHBondContact SD-CG2 3.44Å; M167-E270 HydrophobicContact CB-CB 4.33Å; M167-E270 WeakPolarHBondContact CB-O 3.35Å; M167-E270 HydrophobicContact CE-CB 4.13Å; M167-E270 WeakPolarHBondContact CE-OE2 3.34Å; M167-E270 PolarHBondContact N-O 3.03Å
168G69.1Low60.3Low0 Ų061.4 Ų61.40%032%0.323CS..EExtended strand (participates in β ladder)trans-168.4166.4-178.100000113.7V181 E270G168-V181 CarbonylContact C-O 3.38Å; G168-V181 WeakPolarHBondContact CA-O 3.29Å; G168-E270 PolarHBondContact O-N 3.13Å
169I75.2Confident62.5Low1 Ų154.9 Ų54.91%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-138.7136.3179.5-44.2174.4000108.3L136 L139 L140 L166 V181 L267 F268 F269L136-I169 HydrophobicContact CD2-CB 4Å; L136-I169 HydrophobicContact CD2-CG2 3.61Å; L139-I169 HydrophobicContact CB-CD1 3.91Å; L140-I169 HydrophobicContact CB-CD1 4.36Å; L140-I169 HydrophobicContact CD1-CG1 4.34Å; L166-I169 HydrophobicContact CD2-CD1 4.12Å; L166-I169 HydrophobicContact CD2-CG1 4.15Å; I169-V181 PolarHBondContact N-O 3.11Å; I169-V181 PolarHBondContact O-N 3.23Å; I169-L267 HydrophobicContact CG2-CD2 3.65Å; I169-L267 HydrophobicContact CG2-CG 4.2Å; I169-F268 VanDerWaalsContact CA-O 3.31Å; I169-F268 WeakPolarHBondContact CA-O 3.4Å; I169-F268 WeakPolarHBondContact CG2-O 3.31Å; I169-F269 HydrophobicContact CD1-CD1 4.46Å; I169-F269 HydrophobicContact CD1-CE1 4.2Å; I169-F269 HydrophobicContact CG1-CD1 4.1Å; I169-F269 HydrophobicContact CG1-CE1 4.27Å; I169-F269 HydrophobicContact CG2-CD1 4.19Å; I169-F269 HydrophobicContact CG2-CE1 3.98Å; I169-F269 HydrophobicContact CG2-CZ 4.46Å
170G76.1Confident64.6Low0 Ų052.6 Ų52.60%026%0.263CS..EExtended strand (participates in β ladder)trans-136.7153.7174.900000113.5A179 L267 F268G170-A179 WeakPolarHBondContact CA-O 3.21Å; G170-L267 CarbonylContact O-C 2.97Å; G170-L267 WeakPolarHBondContact O-CA 3.3Å; G170-F268 PolarHBondContact N-O 3.08Å; G170-F268 WeakPolarHBondContact O-CD1 3.34Å; G170-F268 PolarHBondContact O-N 3.34Å
171Y78.5Confident66.6Low1 Ų145 Ų450%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-125.2125.1-177.9171.8-123.4000110.9F115 F132 L173 M178 A179 R265 S266F115-Y171 HydrophobicContact CE1-CD1 4.06Å; F115-Y171 AromaticContact CE1-CD2 3.64Å; F115-Y171 HydrophobicContact CE1-CD2 3.64Å; F115-Y171 AromaticContact CE1-CE1 3.93Å; F115-Y171 HydrophobicContact CE1-CE1 3.93Å; F115-Y171 AromaticContact CE1-CE2 3.52Å; F115-Y171 HydrophobicContact CE1-CE2 3.52Å; F115-Y171 AromaticContact CE1-CG 3.93Å; F115-Y171 HydrophobicContact CE1-CG 3.93Å; F115-Y171 AromaticContact CE1-CZ 3.65Å; F115-Y171 AromaticContact CZ-CD1 3.53Å; F115-Y171 HydrophobicContact CZ-CD1 3.53Å; F115-Y171 AromaticContact CZ-CD2 3.96Å; F115-Y171 HydrophobicContact CZ-CD2 3.96Å; F115-Y171 AromaticContact CZ-CE1 3.56Å; F115-Y171 HydrophobicContact CZ-CE1 3.56Å; F115-Y171 HydrophobicContact CZ-CE2 4.01Å; F115-Y171 AromaticContact CZ-CG 3.75Å; F115-Y171 HydrophobicContact CZ-CG 3.75Å; F115-Y171 AromaticContact CZ-CZ 3.8Å; F132-Y171 HydrophobicContact CD1-CD1 4.14Å; F132-Y171 HydrophobicContact CD1-CE1 4.37Å; F132-Y171 HydrophobicContact CE1-CD1 4.28Å; F132-Y171 HydrophobicContact CE1-CE1 4.03Å; Y171-L173 HydrophobicContact CE1-CB 4.33Å; Y171-M178 HydrophobicContact CD1-CB 3.59Å; Y171-M178 HydrophobicContact CD1-CG 4.14Å; Y171-M178 HydrophobicContact CE1-CB 3.88Å; Y171-M178 HydrophobicContact CE1-CG 3.95Å; Y171-M178 PolarHBondContact O-N 2.88Å; Y171-A179 PolarHBondContact N-O 3.25Å; Y171-A179 PolarHBondContact O-N 3.43Å; Y171-R265 HydrophobicContact CE2-CB 4.16Å; Y171-S266 VanDerWaalsContact CD2-O 3.28Å; Y171-S266 WeakPolarHBondContact CD2-O 3.41Å
172C76.6Confident68.4Low1 Ų137.2 Ų37.21%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-110.2138.9171.9-47.20000110.5I176 C210 S266C172-I176 CarbonylContact C-O 3.59Å; C172-I176 WeakPolarHBondContact CA-O 3.24Å; C172-C210 HydrophobicContact CB-CB 3.74Å; C172-C210 WeakPolarHBondContact CB-SG 3.35Å; C172-C210 WeakPolarHBondContact SG-CB 3.4Å; C172-C210 CovalentContact SG-SG 2.03Å; C172-C210 PolarHBondContact SG-SG 3.5Å; C172-S266 WeakPolarHBondContact CB-OG 3.27Å; C172-S266 PolarHBondContact N-O 3.27Å; C172-S266 PolarHBondContact O-N 2.85Å
173L76.4Confident69.3Low47 Ų4735.3 Ų35.325%0.24618%0.179CC..EExtended strand (participates in β ladder)trans-121.2124.8168.8177.364.9000107.6Y171 G175 I176 M178 R265Y171-L173 HydrophobicContact CE1-CB 4.33Å; L173-G175 PolarHBondContact O-N 3.38Å; L173-G175 VanDerWaalsContact O-N 3.11Å; L173-I176 PolarHBondContact N-O 3.17Å; L173-I176 PolarHBondContact O-N 3.48Å; L173-M178 HydrophobicContact CB-CG 3.56Å; L173-M178 HydrophobicContact CB-SD 4.28Å; L173-M178 HydrophobicContact CD2-CE 4.41Å; L173-M178 HydrophobicContact CD2-SD 4.46Å; L173-R265 HydrophobicContact CD1-CG 4.05Å
174N72.2Confident69.8Low107 Ų10733.1 Ų33.157%0.57217%0.167SC*.THydrogen-bonded Turntrans49.239.6178.3-63.2-26.7000114.2I176 E264N174-I176 VanDerWaalsContact C-N 3.31Å; N174-I176 PolarHBondContact O-N 3.46Å; N174-E264 PolarHBondContact N-O 3Å; N174-E264 PolarHBondContact OD1-O 3.25Å
175G66.2Low69.7Low10 Ų1035.1 Ų35.110%0.10318%0.177CC..THydrogen-bonded Turntrans80.1-1.2-178.800000115.8L173 C210L173-G175 PolarHBondContact O-N 3.38Å; L173-G175 VanDerWaalsContact O-N 3.11Å; G175-C210 WeakPolarHBondContact O-CB 3.25Å
176I70.1Confident68.4Low103 Ų10334.5 Ų34.553%0.52818%0.18SC..EExtended strand (participates in β ladder)trans-100.4133.4178.7-58.1174.6000109.9C172 L173 N174 M178C172-I176 CarbonylContact C-O 3.59Å; C172-I176 WeakPolarHBondContact CA-O 3.24Å; L173-I176 PolarHBondContact N-O 3.17Å; L173-I176 PolarHBondContact O-N 3.48Å; N174-I176 VanDerWaalsContact C-N 3.31Å; N174-I176 PolarHBondContact O-N 3.46Å; I176-M178 PolarHBondContact O-N 3.46Å; I176-M178 VanDerWaalsContact O-N 3.17Å
177L73.3Confident66.8Low10 Ų1040.7 Ų40.75%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-74.1103.9175-172.870.2000110.3R206 C210 F268L177-R206 HydrophobicContact CD2-CB 3.92Å; L177-C210 WeakPolarHBondContact CA-SG 3.21Å; L177-C210 VanDerWaalsContact CB-SG 3.55Å; L177-C210 VanDerWaalsContact CD1-SG 3.54Å; L177-F268 HydrophobicContact CD1-CE1 3.93Å; L177-F268 HydrophobicContact CD1-CZ 4.27Å
178M73.8Confident64.8Low56 Ų5645.6 Ų45.628%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-78.6-39.9-178.8-67.7-62-72.700111.6R129 Y171 L173 I176R129-M178 WeakPolarHBondContact CG-O 3.4Å; Y171-M178 HydrophobicContact CD1-CB 3.59Å; Y171-M178 HydrophobicContact CD1-CG 4.14Å; Y171-M178 HydrophobicContact CE1-CB 3.88Å; Y171-M178 HydrophobicContact CE1-CG 3.95Å; Y171-M178 PolarHBondContact O-N 2.88Å; L173-M178 HydrophobicContact CB-CG 3.56Å; L173-M178 HydrophobicContact CB-SD 4.28Å; L173-M178 HydrophobicContact CD2-CE 4.41Å; L173-M178 HydrophobicContact CD2-SD 4.46Å; I176-M178 PolarHBondContact O-N 3.46Å; I176-M178 VanDerWaalsContact O-N 3.17Å
179A71.3Confident62.9Low0 Ų051.3 Ų51.30%029%0.286CS..EExtended strand (participates in β ladder)trans-158.3154.6174.600000112F132 E133 L136 G170 Y171F132-A179 HydrophobicContact CB-CB 3.48Å; F132-A179 VanDerWaalsContact CB-CB 3.48Å; E133-A179 HydrophobicContact CG-CB 3.71Å; L136-A179 HydrophobicContact CD1-CB 3.56Å; G170-A179 WeakPolarHBondContact CA-O 3.21Å; Y171-A179 PolarHBondContact N-O 3.25Å; Y171-A179 PolarHBondContact O-N 3.43Å
180Y74.6Confident60.6Low26 Ų2657.3 Ų57.310%0.10232%0.324CS..EExtended strand (participates in β ladder)trans-150.7139175.3168.6-101.6000110.1N182 F268 E270Y180-N182 HydrophobicContact CE1-CB 4.19Å; Y180-N182 WeakPolarHBondContact CE1-ND2 3.43Å; Y180-N182 WeakPolarHBondContact OH-CB 3.48Å; Y180-N182 PolarHBondContact OH-ND2 3.18Å; Y180-F268 AromaticContact CD2-CE2 3.91Å; Y180-F268 HydrophobicContact CD2-CE2 3.91Å; Y180-F268 AromaticContact CD2-CZ 3.77Å; Y180-F268 HydrophobicContact CD2-CZ 3.77Å; Y180-F268 AromaticContact CE2-CE2 3.95Å; Y180-F268 HydrophobicContact CE2-CE2 3.95Å; Y180-F268 HydrophobicContact CE2-CZ 4.23Å; Y180-E270 VanDerWaalsContact CE2-OE2 3.26Å; Y180-E270 WeakPolarHBondContact CE2-OE2 3.38Å; Y180-E270 PolarHBondContact OH-OE2 3Å
181V69.7Low58.4Low1 Ų163.4 Ų63.41%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-138.1136.8-176.8170.90000109.6E133 L136 M137 L140 G168 I169E133-V181 HydrophobicContact CB-CG2 4.33Å; E133-V181 WeakPolarHBondContact O-CG2 3.47Å; L136-V181 HydrophobicContact CB-CB 3.95Å; L136-V181 HydrophobicContact CB-CG2 3.53Å; M137-V181 HydrophobicContact CB-CG1 4.5Å; M137-V181 HydrophobicContact CE-CG1 3.7Å; M137-V181 HydrophobicContact CE-CG2 4.34Å; M137-V181 HydrophobicContact CG-CG1 3.81Å; M137-V181 HydrophobicContact CG-CG2 4.03Å; M137-V181 HydrophobicContact SD-CG1 3.47Å; M137-V181 WeakPolarHBondContact SD-CG1 3.47Å; L140-V181 HydrophobicContact CB-CG1 4.39Å; L140-V181 HydrophobicContact CD2-CG1 3.83Å; G168-V181 CarbonylContact C-O 3.38Å; G168-V181 WeakPolarHBondContact CA-O 3.29Å; I169-V181 PolarHBondContact N-O 3.11Å; I169-V181 PolarHBondContact O-N 3.23Å
182N71.8Confident56Low6 Ų668.5 Ų68.53%0.03240%0.396CS..EExtended strand (participates in β ladder)trans-139.5164.8170.473.433.6000112.3M167 Y180 Y184 T185M167-N182 WeakPolarHBondContact O-CA 3.46Å; M167-N182 WeakPolarHBondContact O-CB 3.47Å; Y180-N182 HydrophobicContact CE1-CB 4.19Å; Y180-N182 WeakPolarHBondContact CE1-ND2 3.43Å; Y180-N182 WeakPolarHBondContact OH-CB 3.48Å; Y180-N182 PolarHBondContact OH-ND2 3.18Å; N182-Y184 PolarHBondContact O-N 2.95Å; N182-Y184 VanDerWaalsContact O-N 3.14Å; N182-Y184 WeakPolarHBondContact OD1-CA 3.27Å; N182-Y184 WeakPolarHBondContact OD1-CB 3.21Å; N182-Y184 PolarHBondContact OD1-N 2.96Å; N182-T185 PolarHBondContact O-OG1 2.99Å; N182-T185 PolarHBondContact OD1-N 2.81Å; N182-T185 VanDerWaalsContact OD1-N 3.16Å; N182-T185 PolarHBondContact OD1-OG1 3.42Å
183N64.9Low53.8Low57 Ų5773.2 Ų73.231%0.30543%0.43SS..THydrogen-bonded Turntrans-70.5-0.4-178.6-82.7-46.6000114.1L140 L166 M167L140-N183 HydrophobicContact CD2-CB 4.43Å; L166-N183 PolarHBondContact O-ND2 2.98Å; L166-N183 VanDerWaalsContact O-ND2 3.09Å; M167-N183 PolarHBondContact O-N 3.08Å
184Y59.4Low51.5Low118 Ų11878 Ų7846%0.46346%0.461SS..THydrogen-bonded Turntrans-107.8-11.6-175.5-64.2-64.9000114.5M167 N182 P253M167-Y184 HydrophobicContact CG-CD2 4.18Å; M167-Y184 HydrophobicContact CG-CE2 3.6Å; M167-Y184 HydrophobicContact SD-CD2 4.37Å; M167-Y184 HydrophobicContact SD-CE2 3.78Å; N182-Y184 PolarHBondContact O-N 2.95Å; N182-Y184 VanDerWaalsContact O-N 3.14Å; N182-Y184 WeakPolarHBondContact OD1-CA 3.27Å; N182-Y184 WeakPolarHBondContact OD1-CB 3.21Å; N182-Y184 PolarHBondContact OD1-N 2.96Å; Y184-P253 HydrophobicContact CE2-CG 4.3Å
185T50.7Low49.4Very low77 Ų7776.9 Ų76.947%0.47247%0.474SS..SBendtrans-97.313.4-174.447.70000115.9N182N182-T185 PolarHBondContact O-OG1 2.99Å; N182-T185 PolarHBondContact OD1-N 2.81Å; N182-T185 VanDerWaalsContact OD1-N 3.16Å; N182-T185 PolarHBondContact OD1-OG1 3.42Å
186T33.2Very low47.5Very low75 Ų7581.5 Ų81.546%0.4651%0.505SS..  trans-101.919.2-165.844.10000116.9M137M137-T186 HydrophobicContact CE-CG2 3.52Å; M137-T186 HydrophobicContact SD-CG2 3.78Å
187I30.3Very low45.4Very low152 Ų15281.3 Ų81.378%0.77951%0.513SS*.SBendtrans-134.6102.1167.2-58.489.8000111.1
188S27.6Very low43.1Very low110 Ų11087 Ų8777%0.76955%0.549SS*.  trans158.8165.6146.3510000112.6
189S29.2Very low40.9Very low119 Ų11990.1 Ų90.183%0.83257%0.571SS**  trans73.443.917073.40000119.4
190T26.6Very low38.7Very low128 Ų12897 Ų9779%0.78561%0.607SS**  trans-69.4163140.932.10000110.9
191T30.6Very low36.4Very low127 Ų127102 Ų10278%0.77964%0.641SS**  trans66.795.9169.947.10000120.1
192S28Very low34.6Very low108 Ų108106.5 Ų106.576%0.75568%0.678SS**  74.5155124.360.20000124
193S30.6Very low32.9Very low101 Ų101109.9 Ų109.971%0.70670%0.702SS**  trans73.192.3161.152.10000120.5
194T27Very low31.4Very low148 Ų148116.3 Ų116.391%0.90873%0.728SS**  24.1103.5124.652.90000118.8
195G27.9Very low31Very low82 Ų82115.3 Ų115.385%0.84573%0.73SS**  trans-150.6144.8161.400000109.6
196S26.6Very low31.2Very low108 Ų108116.9 Ų116.976%0.75573%0.728SS**  trans-98.1148.5-164.756.50000115.3
197S26Very low32.2Very low98 Ų98117 Ų11769%0.68573%0.726SS**  trans70.4133.8146.256.30000121.8
198T25.8Very low33.7Very low131 Ų131112 Ų11280%0.80470%0.704SS**  trans82.7141.8154.150.70000121.9
199T26.8Very low35.5Very low121 Ų121107.7 Ų107.774%0.74267%0.672SS**  trans62.5109.317346.30000118.9T201T199-T201 PolarHBondContact O-N 3.06Å
200N25.4Very low37.3Very low143 Ų143102 Ų10277%0.76563%0.633SS**  trans-81.3103.4175.2-61.4-43.9000111.3
201T26Very low39.2Very low132 Ų132100.5 Ų100.581%0.8162%0.62SS**  trans-128.752.4179.658.70000112.9T199T199-T201 PolarHBondContact O-N 3.06Å
202A32.9Very low40.6Very low95 Ų9598.1 Ų98.179%0.78560%0.6SS**SBendtrans-157.7-19.6174.500000115
203S35.1Very low42.4Very low77 Ų7793.6 Ų93.654%0.53857%0.567SS.*SBendtrans-97.1-9.1-168.5510000115.6
204F33.4Very low44Very low192 Ų19292.3 Ų92.384%0.84255%0.551SS**SBendtrans-82.8-23-157.4-138.8-92.9000115.5
205D50.9Low45.6Very low97 Ų9791.4 Ų91.452%0.51954%0.535SS..SBendtrans-94.2-31-171.8-143.6-35.3000114N207 S208D205-N207 PolarHBondContact O-N 2.98Å; D205-S208 WeakPolarHBondContact O-CB 3.17Å; D205-S208 PolarHBondContact O-N 2.77Å; D205-S208 PolarHBondContact O-OG 3.41Å; D205-S208 PolarHBondContact OD1-OG 3.1Å; D205-S208 VanDerWaalsContact OD1-OG 3.07Å
206R55.7Low47Very low111 Ų11189.3 Ų89.342%0.41950%0.504SS..THydrogen-bonded Turntrans-64.2-19.3-170.6-64-172.6-175.9173.23.8115.3L177 S208L177-R206 HydrophobicContact CD2-CB 3.92Å; R206-S208 VanDerWaalsContact C-N 3.28Å
207N54.7Low48.6Very low78 Ų7885 Ų8542%0.41747%0.473SS..THydrogen-bonded Turntrans-74.5-15.5172.2-74-6.2000113.2D205 I209 C210 N211D205-N207 PolarHBondContact O-N 2.98Å; N207-I209 PolarHBondContact O-N 3.5Å; N207-C210 PolarHBondContact O-N 3.38Å; N207-N211 PolarHBondContact O-N 2.89Å; N207-N211 PolarHBondContact O-ND2 2.89Å
208S62Low50.2Low47 Ų4787 Ų8733%0.32947%0.472SS..Hα-helixtrans-59.8-36.3174.669.70000111.4D205 R206 C210 N211 Q212D205-S208 WeakPolarHBondContact O-CB 3.17Å; D205-S208 PolarHBondContact O-N 2.77Å; D205-S208 PolarHBondContact O-OG 3.41Å; D205-S208 PolarHBondContact OD1-OG 3.1Å; D205-S208 VanDerWaalsContact OD1-OG 3.07Å; R206-S208 VanDerWaalsContact C-N 3.28Å; S208-C210 PolarHBondContact O-N 3.04Å; S208-N211 PolarHBondContact O-N 3.45Å; S208-Q212 WeakPolarHBondContact O-CB 3.33Å; S208-Q212 PolarHBondContact O-N 3.32Å
209I64.5Low51.6Low19 Ų1983.9 Ų83.910%0.09746%0.456CS..Hα-helixtrans-55.3-51.1-179.8-58.6170.6000112N207 F213 F268N207-I209 PolarHBondContact O-N 3.5Å; I209-F213 WeakPolarHBondContact O-CB 3.45Å; I209-F213 PolarHBondContact O-N 3.03Å; I209-F268 HydrophobicContact CG2-CE1 3.84Å; I209-F268 HydrophobicContact CG2-CE2 4.4Å; I209-F268 HydrophobicContact CG2-CZ 3.78Å
210C67.5Low52.8Low0 Ų079.6 Ų79.60%043%0.427CS..Hα-helixtrans-77-29.7-176.7-62.60000112.7C172 G175 L177 N207 S208 L214C172-C210 HydrophobicContact CB-CB 3.74Å; C172-C210 WeakPolarHBondContact CB-SG 3.35Å; C172-C210 WeakPolarHBondContact SG-CB 3.4Å; C172-C210 CovalentContact SG-SG 2.03Å; C172-C210 PolarHBondContact SG-SG 3.5Å; G175-C210 WeakPolarHBondContact O-CB 3.25Å; L177-C210 WeakPolarHBondContact CA-SG 3.21Å; L177-C210 VanDerWaalsContact CB-SG 3.55Å; L177-C210 VanDerWaalsContact CD1-SG 3.54Å; N207-C210 PolarHBondContact O-N 3.38Å; S208-C210 PolarHBondContact O-N 3.04Å; C210-L214 PolarHBondContact O-N 3.49Å
211N65.4Low54.1Low96 Ų9678.6 Ų78.651%0.51342%0.417SS..Hα-helixtrans-69.7-41.7171.9-74.6-32.8000112N207 S208 F213 L214 F215N207-N211 PolarHBondContact O-N 2.89Å; N207-N211 PolarHBondContact O-ND2 2.89Å; S208-N211 PolarHBondContact O-N 3.45Å; N211-F213 VanDerWaalsContact C-N 3.34Å; N211-L214 PolarHBondContact O-N 3.31Å; N211-F215 PolarHBondContact O-N 2.86Å
212Q61.5Low55.2Low77 Ų7780.1 Ų80.136%0.3642%0.42SS..Hα-helixtrans-65.7-38.1174.9-173.7176.756.200111S208 N216S208-Q212 WeakPolarHBondContact O-CB 3.33Å; S208-Q212 PolarHBondContact O-N 3.32Å; Q212-N216 WeakPolarHBondContact O-CB 3.5Å; Q212-N216 PolarHBondContact O-N 3.08Å; Q212-N216 PolarHBondContact O-ND2 2.99Å
213F64.4Low55.9Low13 Ų1376.5 Ų76.56%0.05739%0.39CS..Hα-helixtrans-58.6-47.3168.1165.8-97000112.2I209 N211 F215 N216 V217 F240 F259 Y261 S266I209-F213 WeakPolarHBondContact O-CB 3.45Å; I209-F213 PolarHBondContact O-N 3.03Å; N211-F213 VanDerWaalsContact C-N 3.34Å; F213-F215 PolarHBondContact O-N 3.46Å; F213-N216 PolarHBondContact O-N 3.39Å; F213-V217 HydrophobicContact CD1-CG2 4.34Å; F213-V217 HydrophobicContact CD2-CG2 4.07Å; F213-V217 HydrophobicContact CE1-CG2 3.76Å; F213-V217 HydrophobicContact CE2-CG2 3.47Å; F213-V217 VanDerWaalsContact CE2-CG2 3.47Å; F213-V217 HydrophobicContact CG-CG2 4.48Å; F213-V217 HydrophobicContact CZ-CG2 3.27Å; F213-V217 WeakPolarHBondContact O-CG2 3.14Å; F213-V217 PolarHBondContact O-N 3.03Å; F213-F240 AromaticContact CD2-CE1 3.95Å; F213-F240 HydrophobicContact CD2-CE1 3.95Å; F213-F240 AromaticContact CD2-CZ 3.66Å; F213-F240 HydrophobicContact CD2-CZ 3.66Å; F213-F240 AromaticContact CE2-CE1 3.62Å; F213-F240 HydrophobicContact CE2-CE1 3.62Å; F213-F240 AromaticContact CE2-CZ 3.86Å; F213-F240 HydrophobicContact CE2-CZ 3.86Å; F213-F259 HydrophobicContact CB-CD1 4.34Å; F213-F259 HydrophobicContact CB-CE1 3.73Å; F213-F259 HydrophobicContact CB-CZ 4Å; F213-F259 HydrophobicContact CD2-CB 4.08Å; F213-F259 AromaticContact CD2-CD1 3.14Å; F213-F259 HydrophobicContact CD2-CD1 3.14Å; F213-F259 HydrophobicContact CD2-CD2 4.22Å; F213-F259 AromaticContact CD2-CE1 3.46Å; F213-F259 HydrophobicContact CD2-CE1 3.46Å; F213-F259 VanDerWaalsContact CD2-CE1 3.46Å; F213-F259 HydrophobicContact CD2-CE2 4.45Å; F213-F259 AromaticContact CD2-CG 3.58Å; F213-F259 HydrophobicContact CD2-CG 3.58Å; F213-F259 HydrophobicContact CD2-CZ 4.11Å; F213-F259 HydrophobicContact CE2-CB 3.89Å; F213-F259 AromaticContact CE2-CD1 3.63Å; F213-F259 HydrophobicContact CE2-CD1 3.63Å; F213-F259 HydrophobicContact CE2-CE1 4.36Å; F213-F259 AromaticContact CE2-CG 3.92Å; F213-F259 HydrophobicContact CE2-CG 3.92Å; F213-F259 AromaticContact CG-CD1 3.92Å; F213-F259 HydrophobicContact CG-CD1 3.92Å; F213-F259 AromaticContact CG-CE1 3.8Å; F213-F259 HydrophobicContact CG-CE1 3.8Å; F213-F259 HydrophobicContact CG-CZ 4.45Å; F213-Y261 HydrophobicContact CE2-CD1 4.25Å; F213-Y261 HydrophobicContact CE2-CG 4.28Å; F213-Y261 HydrophobicContact CZ-CD1 4.26Å; F213-Y261 HydrophobicContact CZ-CD2 4.29Å; F213-Y261 AromaticContact CZ-CG 3.82Å; F213-Y261 HydrophobicContact CZ-CG 3.82Å; F213-S266 WeakPolarHBondContact CD1-OG 3.35Å; F213-S266 VanDerWaalsContact CE1-CB 3.41Å; F213-S266 WeakPolarHBondContact CE1-OG 3.21Å; F213-S266 WeakPolarHBondContact CZ-OG 3.39Å
214L63.6Low56.3Low73 Ų7380.7 Ų80.738%0.38241%0.406SS..Hα-helixtrans-62.1-41.6-179.5-171.867.5000112.2C210 N211 V217 Q218C210-L214 PolarHBondContact O-N 3.49Å; N211-L214 PolarHBondContact O-N 3.31Å; L214-V217 PolarHBondContact O-N 3.41Å; L214-Q218 WeakPolarHBondContact O-CG 3.31Å; L214-Q218 PolarHBondContact O-N 2.91Å; L214-Q218 VanDerWaalsContact O-N 3.09Å
215F61.9Low56.9Low129 Ų12973.6 Ų73.657%0.56638%0.377SS*.Hα-helixtrans-62.3-42.1173.4-177.9-93.2000112.4N211 F213 Q218 S219N211-F215 PolarHBondContact O-N 2.86Å; F213-F215 PolarHBondContact O-N 3.46Å; F215-Q218 PolarHBondContact O-N 3.15Å; F215-S219 PolarHBondContact O-N 2.92Å; F215-S219 PolarHBondContact O-OG 3.37Å
216N57.4Low56.9Low38 Ų3869.3 Ų69.320%0.20335%0.354CS..Hα-helixtrans-64.7-44.9175.7-72.5-9.8000111.5Q212 F213 Q218 S219 F220 F240Q212-N216 WeakPolarHBondContact O-CB 3.5Å; Q212-N216 PolarHBondContact O-N 3.08Å; Q212-N216 PolarHBondContact O-ND2 2.99Å; F213-N216 PolarHBondContact O-N 3.39Å; N216-Q218 VanDerWaalsContact C-N 3.3Å; N216-Q218 PolarHBondContact O-N 3.48Å; N216-S219 CarbonylContact O-C 3.47Å; N216-S219 WeakPolarHBondContact O-CA 3.3Å; N216-S219 WeakPolarHBondContact O-CB 3.47Å; N216-S219 PolarHBondContact O-N 3.21Å; N216-F220 HydrophobicContact CB-CD2 4.11Å; N216-F220 HydrophobicContact CB-CE2 4Å; N216-F220 WeakPolarHBondContact O-CD2 3.4Å; N216-F220 PolarHBondContact O-N 2.98Å; N216-F240 HydrophobicContact CB-CE2 3.87Å; N216-F240 HydrophobicContact CB-CZ 3.78Å
217V60.8Low56.8Low17 Ų1767.3 Ų67.310%0.10335%0.351CS..Hα-helixtrans-57.1-43.2175.5169.40000111.3F213 L214 S219 F220 H221 F240 Y261F213-V217 HydrophobicContact CD1-CG2 4.34Å; F213-V217 HydrophobicContact CD2-CG2 4.07Å; F213-V217 HydrophobicContact CE1-CG2 3.76Å; F213-V217 HydrophobicContact CE2-CG2 3.47Å; F213-V217 VanDerWaalsContact CE2-CG2 3.47Å; F213-V217 HydrophobicContact CG-CG2 4.48Å; F213-V217 HydrophobicContact CZ-CG2 3.27Å; F213-V217 WeakPolarHBondContact O-CG2 3.14Å; F213-V217 PolarHBondContact O-N 3.03Å; L214-V217 PolarHBondContact O-N 3.41Å; V217-S219 PolarHBondContact O-N 3.47Å; V217-F220 PolarHBondContact O-N 2.95Å; V217-H221 WeakPolarHBondContact O-CB 3.49Å; V217-H221 PolarHBondContact O-N 3.05Å; V217-F240 HydrophobicContact CG2-CE1 3.82Å; V217-F240 HydrophobicContact CG2-CZ 4.35Å; V217-Y261 HydrophobicContact CG1-CD2 4.41Å; V217-Y261 HydrophobicContact CG1-CE2 3.8Å; V217-Y261 HydrophobicContact CG2-CD2 4.2Å; V217-Y261 HydrophobicContact CG2-CE1 4.44Å; V217-Y261 HydrophobicContact CG2-CE2 4.02Å; V217-Y261 HydrophobicContact CG2-CG 4.49Å
218Q59.6Low56.8Low140 Ų14069.3 Ų69.365%0.65436%0.358SS*.Hα-helixtrans-61.2-27176.2-72.4175.2-4.100113.1L214 F215 N216L214-Q218 WeakPolarHBondContact O-CG 3.31Å; L214-Q218 PolarHBondContact O-N 2.91Å; L214-Q218 VanDerWaalsContact O-N 3.09Å; F215-Q218 PolarHBondContact O-N 3.15Å; N216-Q218 VanDerWaalsContact C-N 3.3Å; N216-Q218 PolarHBondContact O-N 3.48Å
219S54.3Low56.6Low67 Ų6769.8 Ų69.847%0.46935%0.354SS..Hα-helixtrans-82-38.2174-54.40000112.7F215 N216 V217F215-S219 PolarHBondContact O-N 2.92Å; F215-S219 PolarHBondContact O-OG 3.37Å; N216-S219 CarbonylContact O-C 3.47Å; N216-S219 WeakPolarHBondContact O-CA 3.3Å; N216-S219 WeakPolarHBondContact O-CB 3.47Å; N216-S219 PolarHBondContact O-N 3.21Å; V217-S219 PolarHBondContact O-N 3.47Å
220F52.9Low56.1Low31 Ų3174.5 Ų74.514%0.13638%0.379CS..Hα-helixtrans-88.3-10.1-176-66.5-62.8000115N81 N216 V217 N222 S223 T226 F240N81-F220 VanDerWaalsContact OD1-CE1 3.29Å; N81-F220 WeakPolarHBondContact OD1-CE1 3.46Å; N216-F220 HydrophobicContact CB-CD2 4.11Å; N216-F220 HydrophobicContact CB-CE2 4Å; N216-F220 WeakPolarHBondContact O-CD2 3.4Å; N216-F220 PolarHBondContact O-N 2.98Å; V217-F220 PolarHBondContact O-N 2.95Å; F220-N222 PolarHBondContact O-N 3.06Å; F220-S223 WeakPolarHBondContact CA-OG 3.45Å; F220-S223 PolarHBondContact O-N 2.86Å; F220-S223 PolarHBondContact O-OG 3Å; F220-T226 HydrophobicContact CB-CG2 3.77Å; F220-T226 WeakPolarHBondContact O-CG2 3.45Å; F220-F240 HydrophobicContact CD2-CD1 4.27Å; F220-F240 AromaticContact CD2-CD2 3.83Å; F220-F240 HydrophobicContact CD2-CD2 3.83Å; F220-F240 HydrophobicContact CD2-CE1 4.41Å; F220-F240 AromaticContact CD2-CE2 3.99Å; F220-F240 HydrophobicContact CD2-CE2 3.99Å; F220-F240 AromaticContact CD2-CG 3.98Å; F220-F240 HydrophobicContact CD2-CG 3.98Å; F220-F240 HydrophobicContact CD2-CZ 4.28Å; F220-F240 AromaticContact CE2-CD2 3.66Å; F220-F240 HydrophobicContact CE2-CD2 3.66Å; F220-F240 AromaticContact CE2-CE2 3.84Å; F220-F240 HydrophobicContact CE2-CE2 3.84Å; F220-F240 HydrophobicContact CE2-CG 4.23Å; F220-F240 HydrophobicContact CZ-CD2 4.48Å
221H51.3Low55.4Low122 Ų12277 Ų7757%0.56539%0.392SS*.THydrogen-bonded Turntrans-62.2-18.8-172.8-158.5-61.4000114.7V217V217-H221 WeakPolarHBondContact O-CB 3.49Å; V217-H221 PolarHBondContact O-N 3.05Å
222N49.6Very low54.6Low163 Ų16381.3 Ų81.387%0.87242%0.415SS*.THydrogen-bonded Turntrans-117.96.9-179.9-71.9-19.1000113.8F220F220-N222 PolarHBondContact O-N 3.06Å
223S48.2Very low53.7Low20 Ų2084.8 Ų84.814%0.1443%0.429CS..SBendtrans-94.3142.7178.952.60000111.8F220 D225 T226F220-S223 WeakPolarHBondContact CA-OG 3.45Å; F220-S223 PolarHBondContact O-N 2.86Å; F220-S223 PolarHBondContact O-OG 3Å; S223-D225 WeakPolarHBondContact CB-OD2 3.15Å; S223-D225 PolarHBondContact O-N 2.91Å; S223-T226 PolarHBondContact O-OG1 3.33Å
224N43.2Very low52.8Low165 Ų16589.9 Ų89.988%0.88245%0.448SS*.THydrogen-bonded Turntrans-62.3-9.8174.8-70.3-36.4000113.4T226N224-T226 VanDerWaalsContact C-N 3.33Å; N224-T226 PolarHBondContact O-N 3.09Å
225D46.1Very low52.3Low42 Ų4288.1 Ų88.123%0.22545%0.448CS..THydrogen-bonded Turntrans-88.54.2-170-47.5-79.7000113.3Y85 S223Y85-D225 HydrophobicContact CD1-CB 3.94Å; Y85-D225 WeakPolarHBondContact CD1-OD1 3.29Å; Y85-D225 HydrophobicContact CD2-CB 4.19Å; Y85-D225 HydrophobicContact CE1-CB 4.05Å; Y85-D225 WeakPolarHBondContact CE1-OD1 3.37Å; Y85-D225 HydrophobicContact CE2-CB 4.3Å; Y85-D225 HydrophobicContact CG-CB 4.02Å; S223-D225 WeakPolarHBondContact CB-OD2 3.15Å; S223-D225 PolarHBondContact O-N 2.91Å
226T49.7Very low52.2Low8 Ų889.7 Ų89.75%0.04946%0.455CS..SBendtrans-91126.5168.9560000111.1F220 S223 N224 H228F220-T226 HydrophobicContact CB-CG2 3.77Å; F220-T226 WeakPolarHBondContact O-CG2 3.45Å; S223-T226 PolarHBondContact O-OG1 3.33Å; N224-T226 VanDerWaalsContact C-N 3.33Å; N224-T226 PolarHBondContact O-N 3.09Å; T226-H228 PolarHBondContact O-N 2.86Å; T226-H228 VanDerWaalsContact O-N 3.08Å; T226-H228 PolarHBondContact OG1-CE1 3.48Å
227I54.4Low52.3Low68 Ų6888.5 Ų88.535%0.34945%0.448SS..  trans-8099.2-179.2-49.8177.3000108.9F229 S238 S239I227-F229 HydrophobicContact CB-CE2 4Å; I227-F229 HydrophobicContact CB-CZ 4.28Å; I227-F229 HydrophobicContact CG2-CD2 4.31Å; I227-F229 HydrophobicContact CG2-CE1 4.12Å; I227-F229 HydrophobicContact CG2-CE2 3.6Å; I227-F229 HydrophobicContact CG2-CZ 3.5Å; I227-F229 VanDerWaalsContact CG2-CZ 3.5Å; I227-F229 VanDerWaalsContact O-CD2 3.31Å; I227-F229 WeakPolarHBondContact O-CD2 3.36Å; I227-F229 WeakPolarHBondContact O-CE2 3.45Å; I227-S238 WeakPolarHBondContact O-CA 3.5Å; I227-S239 PolarHBondContact N-O 3.26Å; I227-S239 PolarHBondContact O-N 3.28Å
228H55.1Low52.5Low121 Ų12188.5 Ų88.556%0.5645%0.448SS*.  trans-79.9118.9176.6-62.5-43.6000112.2T226 F237 S238T226-H228 PolarHBondContact O-N 2.86Å; T226-H228 VanDerWaalsContact O-N 3.08Å; T226-H228 PolarHBondContact OG1-CE1 3.48Å; H228-F237 CarbonylContact C-O 3.57Å; H228-F237 WeakPolarHBondContact CA-O 3.33Å; H228-S238 PolarHBondContact ND1-OG 3.48Å
229F56.8Low52.7Low57 Ų5781.8 Ų81.825%0.2542%0.417CS..EExtended strand (participates in β ladder)trans-103.5114.3170.2-55.1-92.6000109.5I109 I227 K236 F237I109-F229 HydrophobicContact CD1-CD1 4.03Å; I109-F229 HydrophobicContact CD1-CE1 3.82Å; I109-F229 HydrophobicContact CD1-CE2 4.4Å; I109-F229 HydrophobicContact CD1-CG 4.41Å; I109-F229 HydrophobicContact CD1-CZ 4.02Å; I227-F229 HydrophobicContact CB-CE2 4Å; I227-F229 HydrophobicContact CB-CZ 4.28Å; I227-F229 HydrophobicContact CG2-CD2 4.31Å; I227-F229 HydrophobicContact CG2-CE1 4.12Å; I227-F229 HydrophobicContact CG2-CE2 3.6Å; I227-F229 HydrophobicContact CG2-CZ 3.5Å; I227-F229 VanDerWaalsContact CG2-CZ 3.5Å; I227-F229 VanDerWaalsContact O-CD2 3.31Å; I227-F229 WeakPolarHBondContact O-CD2 3.36Å; I227-F229 WeakPolarHBondContact O-CE2 3.45Å; F229-K236 WeakPolarHBondContact O-CA 3.45Å; F229-F237 HydrophobicContact CB-CB 4.35Å; F229-F237 PolarHBondContact N-O 2.98Å; F229-F237 PolarHBondContact O-N 3.37Å
230N54.1Low52.9Low117 Ų11779 Ų7963%0.62640%0.397SS*.EExtended strand (participates in β ladder)trans-96.8106.1169.3-69-32.8000109.1K236N230-K236 WeakPolarHBondContact OD1-CD 3.36Å; N230-K236 WeakPolarHBondContact OD1-CG 3.48Å
231D53.9Low53.3Low52 Ų5280.7 Ų80.728%0.27840%0.402SS..EExtended strand (participates in β ladder)trans-93.8121163.2-172.2-31.5000108.6R113 K233 Y234 G235R113-D231 IonicContact CZ-OD2 3.78Å; R113-D231 IonicContact NH1-OD2 2.67Å; R113-D231 PolarHBondContact NH1-OD2 2.62Å; D231-K233 PolarHBondContact O-N 2.91Å; D231-K233 PolarHBondContact OD1-N 3.44Å; D231-Y234 PolarHBondContact O-N 3.38Å; D231-G235 PolarHBondContact N-O 3.48Å; D231-G235 PolarHBondContact O-N 2.93Å
232L47Very low53.5Low188 Ų18875.3 Ų75.398%0.98438%0.378SS*.THydrogen-bonded Turntrans-50.9-20.8177.2-91.6156.1000114.3
233K43.7Very low53.5Low150 Ų15070.4 Ų70.465%0.65236%0.356SS*.THydrogen-bonded Turntrans-107.5-19.5-174-158.2176.4177.3-150.20114.7D231D231-K233 PolarHBondContact O-N 2.91Å; D231-K233 PolarHBondContact OD1-N 3.44Å
234Y44.1Very low53.8Low119 Ų11971.1 Ų71.147%0.46736%0.358SS..THydrogen-bonded Turntrans-141.18.4-171.2-59.2-70.7000115.9D231D231-Y234 PolarHBondContact O-N 3.38Å
235G54Low54.1Low37 Ų3768.1 Ų68.138%0.38134%0.338SS..EExtended strand (participates in β ladder)trans102.1-160.7166.100000115.5D231D231-G235 PolarHBondContact N-O 3.48Å; D231-G235 PolarHBondContact O-N 2.93Å
236K58.9Low53.9Low162 Ų16268.1 Ų68.170%0.70434%0.341SS*.EExtended strand (participates in β ladder)trans-103.7123.5-175.3-52.5-162.8178.7178.30111F229 N230F229-K236 WeakPolarHBondContact O-CA 3.45Å; N230-K236 WeakPolarHBondContact OD1-CD 3.36Å; N230-K236 WeakPolarHBondContact OD1-CG 3.48Å
237F61.3Low53.5Low13 Ų1372.6 Ų72.66%0.05736%0.362CS..EExtended strand (participates in β ladder)trans-110.4148.8169.1-55.4-88.5000109.5M112 H228 F229 I260 T262M112-F237 HydrophobicContact CG-CD1 4.04Å; M112-F237 HydrophobicContact CG-CE1 3.73Å; H228-F237 CarbonylContact C-O 3.57Å; H228-F237 WeakPolarHBondContact CA-O 3.33Å; F229-F237 HydrophobicContact CB-CB 4.35Å; F229-F237 PolarHBondContact N-O 2.98Å; F229-F237 PolarHBondContact O-N 3.37Å; F237-I260 HydrophobicContact CB-CG2 4.4Å; F237-T262 HydrophobicContact CD1-CG2 3.6Å; F237-T262 HydrophobicContact CE1-CG2 3.63Å
238S64.3Low52.8Low16 Ų1673.6 Ų73.611%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-126.6151.8172-58.30000109.8I227 H228 Y261I227-S238 WeakPolarHBondContact O-CA 3.5Å; H228-S238 PolarHBondContact ND1-OG 3.48Å; S238-Y261 VanDerWaalsContact CB-CE1 3.46Å; S238-Y261 VanDerWaalsContact CB-CZ 3.46Å; S238-Y261 PolarHBondContact N-O 2.54Å; S238-Y261 WeakPolarHBondContact O-CD1 3.21Å; S238-Y261 PolarHBondContact O-N 2.71Å
239S63.5Low51.9Low0 Ų075.4 Ų75.40%039%0.388CS..EExtended strand (participates in β ladder)trans-141.3154.8173.767.90000113.8I227 Y258 F259I227-S239 PolarHBondContact N-O 3.26Å; I227-S239 PolarHBondContact O-N 3.28Å; S239-Y258 WeakPolarHBondContact CB-OH 3.45Å; S239-Y258 PolarHBondContact OG-OH 2.66Å; S239-F259 WeakPolarHBondContact CA-O 3.33Å; S239-F259 WeakPolarHBondContact CB-O 3.25Å
240F59.5Low51.2Low9 Ų975 Ų754%0.03939%0.392CS..EExtended strand (participates in β ladder)trans-149.9166.917368.9-89.3000111.4F213 N216 V217 F220 A242 F259 Y261F213-F240 AromaticContact CD2-CE1 3.95Å; F213-F240 HydrophobicContact CD2-CE1 3.95Å; F213-F240 AromaticContact CD2-CZ 3.66Å; F213-F240 HydrophobicContact CD2-CZ 3.66Å; F213-F240 AromaticContact CE2-CE1 3.62Å; F213-F240 HydrophobicContact CE2-CE1 3.62Å; F213-F240 AromaticContact CE2-CZ 3.86Å; F213-F240 HydrophobicContact CE2-CZ 3.86Å; N216-F240 HydrophobicContact CB-CE2 3.87Å; N216-F240 HydrophobicContact CB-CZ 3.78Å; V217-F240 HydrophobicContact CG2-CE1 3.82Å; V217-F240 HydrophobicContact CG2-CZ 4.35Å; F220-F240 HydrophobicContact CD2-CD1 4.27Å; F220-F240 AromaticContact CD2-CD2 3.83Å; F220-F240 HydrophobicContact CD2-CD2 3.83Å; F220-F240 HydrophobicContact CD2-CE1 4.41Å; F220-F240 AromaticContact CD2-CE2 3.99Å; F220-F240 HydrophobicContact CD2-CE2 3.99Å; F220-F240 AromaticContact CD2-CG 3.98Å; F220-F240 HydrophobicContact CD2-CG 3.98Å; F220-F240 HydrophobicContact CD2-CZ 4.28Å; F220-F240 AromaticContact CE2-CD2 3.66Å; F220-F240 HydrophobicContact CE2-CD2 3.66Å; F220-F240 AromaticContact CE2-CE2 3.84Å; F220-F240 HydrophobicContact CE2-CE2 3.84Å; F220-F240 HydrophobicContact CE2-CG 4.23Å; F220-F240 HydrophobicContact CZ-CD2 4.48Å; F240-A242 HydrophobicContact CE2-CB 4.27Å; F240-F259 HydrophobicContact CD1-CB 4.36Å; F240-F259 HydrophobicContact CE1-CB 4.1Å; F240-F259 AromaticContact CE2-CD2 3.91Å; F240-F259 HydrophobicContact CE2-CD2 3.91Å; F240-F259 HydrophobicContact CE2-CG 4.49Å; F240-F259 HydrophobicContact CZ-CB 4.22Å; F240-F259 HydrophobicContact CZ-CD2 4.03Å; F240-F259 HydrophobicContact CZ-CG 4.21Å; F240-F259 PolarHBondContact N-O 3.09Å; F240-F259 PolarHBondContact O-N 2.73Å; F240-Y261 HydrophobicContact CD1-CD1 4.33Å; F240-Y261 AromaticContact CD1-CE1 3.79Å; F240-Y261 HydrophobicContact CD1-CE1 3.79Å; F240-Y261 HydrophobicContact CE1-CD1 4.32Å; F240-Y261 HydrophobicContact CE1-CE1 4.02Å
241W60.1Low50.9Low65 Ų6576.8 Ų76.825%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-103.4142.4177.1-69.7104.9000111.5L97 F101 L256 Y258 F271L97-W241 HydrophobicContact CD1-CH2 4.39Å; F101-W241 HydrophobicContact CE1-CH2 4.42Å; F101-W241 HydrophobicContact CE1-CZ2 4.21Å; F101-W241 AromaticContact CE2-CH2 3.89Å; F101-W241 HydrophobicContact CE2-CH2 3.89Å; F101-W241 HydrophobicContact CE2-CZ2 4.45Å; F101-W241 AromaticContact CZ-CH2 3.44Å; F101-W241 HydrophobicContact CZ-CH2 3.44Å; F101-W241 VanDerWaalsContact CZ-CH2 3.44Å; F101-W241 AromaticContact CZ-CZ2 3.56Å; F101-W241 HydrophobicContact CZ-CZ2 3.56Å; W241-L256 HydrophobicContact CD2-CD2 4.46Å; W241-L256 HydrophobicContact CE3-CD1 4.05Å; W241-L256 HydrophobicContact CE3-CD2 3.61Å; W241-L256 HydrophobicContact CE3-CG 3.57Å; W241-L256 HydrophobicContact CH2-CD2 4.05Å; W241-L256 HydrophobicContact CZ3-CD2 3.37Å; W241-L256 HydrophobicContact CZ3-CG 3.6Å; W241-Y258 AromaticContact CD2-CD2 3.87Å; W241-Y258 HydrophobicContact CD2-CD2 3.87Å; W241-Y258 AromaticContact CE2-CD2 3.91Å; W241-Y258 HydrophobicContact CE3-CD2 4.02Å; W241-Y258 HydrophobicContact CE3-CG 4.37Å; W241-Y258 HydrophobicContact CG-CD2 4.44Å; W241-Y258 HydrophobicContact CH2-CD2 4.37Å; W241-Y258 HydrophobicContact CH2-CG 4.49Å; W241-Y258 HydrophobicContact CZ2-CD2 4.19Å; W241-Y258 HydrophobicContact CZ3-CD2 4.27Å; W241-Y258 HydrophobicContact CZ3-CG 4.29Å; W241-F271 HydrophobicContact CZ3-CD2 4.3Å; W241-F271 HydrophobicContact CZ3-CE2 4.48Å
242A55.3Low50.6Low9 Ų977.2 Ų77.27%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-138.8131.8171.500000112F240 R257 F259F240-A242 HydrophobicContact CE2-CB 4.27Å; A242-R257 PolarHBondContact N-O 3.12Å; A242-R257 PolarHBondContact O-N 3.34Å; A242-F259 HydrophobicContact CB-CD2 4.3Å; A242-F259 HydrophobicContact CB-CE2 3.98Å
243P50.9Low50.7Low61 Ų6168.8 Ų68.840%0.39636%0.358SS..EExtended strand (participates in β ladder)trans-70.7153.9164.332.9-34.7000110.1F84F84-P243 HydrophobicContact CE1-CG 4.16Å
244I53.2Low51.2Low35 Ų3562.7 Ų62.718%0.17933%0.333CS..  trans-114.9138.5-173.8-56.3159.7000110.7V255 R257 E270I244-V255 HydrophobicContact CD1-CB 3.67Å; I244-V255 HydrophobicContact CD1-CG1 3.38Å; I244-R257 HydrophobicContact CD1-CB 3.68Å; I244-R257 HydrophobicContact CD1-CG 3.62Å; I244-R257 VanDerWaalsContact CD1-NE 3.34Å; I244-R257 HydrophobicContact CG1-CB 3.83Å; I244-R257 HydrophobicContact CG1-CG 4.11Å; I244-E270 HydrophobicContact CD1-CG 4.44Å
245Q49.3Very low52Low102 Ų10257.8 Ų57.848%0.47732%0.315SS..PPolyproline II helixtrans-60.6125.2169.5175-179.8-24.900111.1E247Q245-E247 PolarHBondContact O-N 3.33Å
246C42.6Very low52.4Low42 Ų4256.4 Ų56.428%0.28430%0.299SS..PPolyproline II helixtrans-67.6134.8176.6-56.10000111.1S25S25-C246 WeakPolarHBondContact O-CB 3.31Å; S25-C246 VanDerWaalsContact OG-CB 3.26Å; S25-C246 WeakPolarHBondContact OG-CB 3.31Å; S25-C246 PolarHBondContact OG-SG 3.35Å
247E40.6Very low52.8Low102 Ų10249.5 Ų49.548%0.47727%0.269SS..PPolyproline II helixtrans-80.9122.3172.7-174.9-179.9-127.800108.5Q245 N249 S250Q245-E247 PolarHBondContact O-N 3.33Å; E247-N249 PolarHBondContact O-N 3.23Å; E247-S250 WeakPolarHBondContact OE2-CB 3.32Å; E247-S250 PolarHBondContact OE2-OG 2.83Å
248S40.8Very low53.2Low88 Ų8849.1 Ų49.162%0.61527%0.267SS*.THydrogen-bonded Turntrans-74.322.8-165.669.40000115.4
249N36.8Very low53.4Low160 Ų16048.6 Ų48.686%0.85626%0.262SS*.THydrogen-bonded Turntrans-162.423.9-174.3-135-10.4000115E247E247-N249 PolarHBondContact O-N 3.23Å
250S42.2Very low53.7Low47 Ų4748.7 Ų48.733%0.32926%0.263SS..  trans-136.1152.6-179.367.80000113.5E247 I252E247-S250 WeakPolarHBondContact OE2-CB 3.32Å; E247-S250 PolarHBondContact OE2-OG 2.83Å; S250-I252 PolarHBondContact O-N 3.16Å; S250-I252 WeakPolarHBondContact OG-CD1 3.25Å; S250-I252 WeakPolarHBondContact OG-CG1 3.13Å
251I46Very low54.3Low155 Ų15549 Ų4980%0.79526%0.264SS*.  trans-73.69-172.6-61.1162000112
252I47.9Very low54.7Low61 Ų6147.8 Ų47.831%0.31326%0.263SS..  trans-70.3138.5-166.2-62.3-179000110.4M167 S250 V255M167-I252 HydrophobicContact CE-CG2 3.88Å; M167-I252 HydrophobicContact SD-CG2 3.94Å; S250-I252 PolarHBondContact O-N 3.16Å; S250-I252 WeakPolarHBondContact OG-CD1 3.25Å; S250-I252 WeakPolarHBondContact OG-CG1 3.13Å; I252-V255 HydrophobicContact CG2-CG2 3.85Å
253P49.9Very low55.3Low11 Ų1153.8 Ų53.87%0.07130%0.3CS..  trans-56.9177.6174.7-2428.8000117.9M167 Y184 V255 D272 K274M167-P253 HydrophobicContact SD-CB 4.49Å; M167-P253 VanDerWaalsContact SD-CD 3.58Å; M167-P253 HydrophobicContact SD-CG 3.86Å; Y184-P253 HydrophobicContact CE2-CG 4.3Å; P253-V255 HydrophobicContact CB-CG2 4.24Å; P253-V255 WeakPolarHBondContact O-CG2 3.21Å; P253-V255 PolarHBondContact O-N 3.11Å; P253-D272 HydrophobicContact CB-CB 4.13Å; P253-D272 WeakPolarHBondContact CB-OD1 3.17Å; P253-D272 HydrophobicContact CG-CB 4.12Å; P253-D272 VanDerWaalsContact CG-CG 3.41Å; P253-D272 WeakPolarHBondContact CG-OD2 3.39Å; P253-K274 HydrophobicContact CB-CD 3.86Å; P253-K274 HydrophobicContact CB-CG 4.22Å; P253-K274 HydrophobicContact CG-CD 4.14Å
254I55Low56.1Low23 Ų2356.2 Ų56.212%0.11831%0.306CS..  trans-68.7110.6157.3-56.8162.8000106.2I22 L273I22-I254 HydrophobicContact CD1-CG2 4.23Å; I22-I254 HydrophobicContact CG1-CG2 4.39Å; I22-I254 HydrophobicContact CG2-CB 4.18Å; I22-I254 HydrophobicContact CG2-CD1 3.48Å; I22-I254 VanDerWaalsContact CG2-CD1 3.48Å; I22-I254 HydrophobicContact CG2-CG1 3.62Å; I22-I254 HydrophobicContact CG2-CG2 3.47Å; I22-I254 VanDerWaalsContact CG2-CG2 3.47Å; I254-L273 HydrophobicContact CB-CB 4.24Å; I254-L273 HydrophobicContact CG2-CB 4.04Å; I254-L273 HydrophobicContact CG2-CD1 3.99Å; I254-L273 PolarHBondContact O-N 3.04Å
255V59.1Low57Low15 Ų1556.2 Ų56.29%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-111134.3-174-175.10000111.6M167 I244 I252 P253 E270 F271M167-V255 HydrophobicContact CE-CG1 4.46Å; M167-V255 HydrophobicContact CE-CG2 3.78Å; M167-V255 HydrophobicContact SD-CG2 3.46Å; M167-V255 WeakPolarHBondContact SD-CG2 3.44Å; I244-V255 HydrophobicContact CD1-CB 3.67Å; I244-V255 HydrophobicContact CD1-CG1 3.38Å; I252-V255 HydrophobicContact CG2-CG2 3.85Å; P253-V255 HydrophobicContact CB-CG2 4.24Å; P253-V255 WeakPolarHBondContact O-CG2 3.21Å; P253-V255 PolarHBondContact O-N 3.11Å; V255-E270 HydrophobicContact CG1-CB 3.47Å; V255-E270 VanDerWaalsContact CG1-CB 3.47Å; V255-E270 HydrophobicContact CG1-CG 3.72Å; V255-F271 WeakPolarHBondContact CA-O 3.41Å
256L63.1Low58.1Low8 Ų851.6 Ų51.64%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-101.6127.5168.3-17662000109.4F88 W241 F271 L273F88-L256 HydrophobicContact CD1-CD2 4.49Å; F88-L256 HydrophobicContact CE1-CD1 3.78Å; F88-L256 HydrophobicContact CE1-CD2 4.09Å; F88-L256 HydrophobicContact CZ-CD1 4.33Å; W241-L256 HydrophobicContact CD2-CD2 4.46Å; W241-L256 HydrophobicContact CE3-CD1 4.05Å; W241-L256 HydrophobicContact CE3-CD2 3.61Å; W241-L256 HydrophobicContact CE3-CG 3.57Å; W241-L256 HydrophobicContact CH2-CD2 4.05Å; W241-L256 HydrophobicContact CZ3-CD2 3.37Å; W241-L256 HydrophobicContact CZ3-CG 3.6Å; L256-F271 PolarHBondContact N-O 3.04Å; L256-F271 PolarHBondContact O-N 2.81Å; L256-L273 HydrophobicContact CB-CD1 4.03Å; L256-L273 HydrophobicContact CB-CG 4.34Å
257R68.3Low59.7Low18 Ų1849.6 Ų49.67%0.06827%0.269CS..EExtended strand (participates in β ladder)trans-96.4126.7176-118.3168.6-126.8147.90.4110.5A242 I244 F259 F268 F269 E270A242-R257 PolarHBondContact N-O 3.12Å; A242-R257 PolarHBondContact O-N 3.34Å; I244-R257 HydrophobicContact CD1-CB 3.68Å; I244-R257 HydrophobicContact CD1-CG 3.62Å; I244-R257 VanDerWaalsContact CD1-NE 3.34Å; I244-R257 HydrophobicContact CG1-CB 3.83Å; I244-R257 HydrophobicContact CG1-CG 4.11Å; R257-F259 HydrophobicContact CB-CD2 4.27Å; R257-F259 HydrophobicContact CB-CE2 3.78Å; R257-F259 HydrophobicContact CB-CZ 4.41Å; R257-F259 HydrophobicContact CG-CE2 4.06Å; R257-F259 HydrophobicContact CG-CZ 4.19Å; R257-F268 HydrophobicContact CG-CB 4.34Å; R257-F268 HydrophobicContact CG-CD2 3.79Å; R257-F268 HydrophobicContact CG-CE2 4.5Å; R257-F268 HydrophobicContact CG-CG 4.38Å; R257-F269 WeakPolarHBondContact CA-O 3.16Å; R257-E270 HydrophobicContact CG-CG 4Å; R257-E270 IonicContact CZ-OE1 2.73Å; R257-E270 IonicContact NE-OE1 3.09Å; R257-E270 PolarHBondContact NE-OE1 2.89Å; R257-E270 IonicContact NH2-OE1 3.18Å; R257-E270 PolarHBondContact NH2-OE1 3.48Å
258Y69Low61.3Low4 Ų444.8 Ų44.82%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-105.7123.1166.2-177.4-122000108.7I105 S239 W241 I260 F268 F269I105-Y258 HydrophobicContact CG1-CE1 4.24Å; S239-Y258 WeakPolarHBondContact CB-OH 3.45Å; S239-Y258 PolarHBondContact OG-OH 2.66Å; W241-Y258 AromaticContact CD2-CD2 3.87Å; W241-Y258 HydrophobicContact CD2-CD2 3.87Å; W241-Y258 AromaticContact CE2-CD2 3.91Å; W241-Y258 HydrophobicContact CE3-CD2 4.02Å; W241-Y258 HydrophobicContact CE3-CG 4.37Å; W241-Y258 HydrophobicContact CG-CD2 4.44Å; W241-Y258 HydrophobicContact CH2-CD2 4.37Å; W241-Y258 HydrophobicContact CH2-CG 4.49Å; W241-Y258 HydrophobicContact CZ2-CD2 4.19Å; W241-Y258 HydrophobicContact CZ3-CD2 4.27Å; W241-Y258 HydrophobicContact CZ3-CG 4.29Å; Y258-I260 HydrophobicContact CD1-CD1 4.39Å; Y258-I260 HydrophobicContact CD1-CG1 4.1Å; Y258-I260 HydrophobicContact CE1-CD1 3.81Å; Y258-I260 HydrophobicContact CE1-CG1 3.65Å; Y258-F268 CarbonylContact O-C 3.5Å; Y258-F268 VanDerWaalsContact O-CA 3.27Å; Y258-F268 WeakPolarHBondContact O-CA 3.22Å; Y258-F269 HydrophobicContact CD1-CD2 4.27Å; Y258-F269 PolarHBondContact N-O 2.58Å; Y258-F269 PolarHBondContact O-N 2.82Å
259F68.6Low62.8Low6 Ų640.9 Ų40.93%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-106.4131.4-179.6-75.1-86.1000110.7F213 S239 F240 A242 R257 F268F213-F259 HydrophobicContact CB-CD1 4.34Å; F213-F259 HydrophobicContact CB-CE1 3.73Å; F213-F259 HydrophobicContact CB-CZ 4Å; F213-F259 HydrophobicContact CD2-CB 4.08Å; F213-F259 AromaticContact CD2-CD1 3.14Å; F213-F259 HydrophobicContact CD2-CD1 3.14Å; F213-F259 HydrophobicContact CD2-CD2 4.22Å; F213-F259 AromaticContact CD2-CE1 3.46Å; F213-F259 HydrophobicContact CD2-CE1 3.46Å; F213-F259 VanDerWaalsContact CD2-CE1 3.46Å; F213-F259 HydrophobicContact CD2-CE2 4.45Å; F213-F259 AromaticContact CD2-CG 3.58Å; F213-F259 HydrophobicContact CD2-CG 3.58Å; F213-F259 HydrophobicContact CD2-CZ 4.11Å; F213-F259 HydrophobicContact CE2-CB 3.89Å; F213-F259 AromaticContact CE2-CD1 3.63Å; F213-F259 HydrophobicContact CE2-CD1 3.63Å; F213-F259 HydrophobicContact CE2-CE1 4.36Å; F213-F259 AromaticContact CE2-CG 3.92Å; F213-F259 HydrophobicContact CE2-CG 3.92Å; F213-F259 AromaticContact CG-CD1 3.92Å; F213-F259 HydrophobicContact CG-CD1 3.92Å; F213-F259 AromaticContact CG-CE1 3.8Å; F213-F259 HydrophobicContact CG-CE1 3.8Å; F213-F259 HydrophobicContact CG-CZ 4.45Å; S239-F259 WeakPolarHBondContact CA-O 3.33Å; S239-F259 WeakPolarHBondContact CB-O 3.25Å; F240-F259 HydrophobicContact CD1-CB 4.36Å; F240-F259 HydrophobicContact CE1-CB 4.1Å; F240-F259 AromaticContact CE2-CD2 3.91Å; F240-F259 HydrophobicContact CE2-CD2 3.91Å; F240-F259 HydrophobicContact CE2-CG 4.49Å; F240-F259 HydrophobicContact CZ-CB 4.22Å; F240-F259 HydrophobicContact CZ-CD2 4.03Å; F240-F259 HydrophobicContact CZ-CG 4.21Å; F240-F259 PolarHBondContact N-O 3.09Å; F240-F259 PolarHBondContact O-N 2.73Å; A242-F259 HydrophobicContact CB-CD2 4.3Å; A242-F259 HydrophobicContact CB-CE2 3.98Å; R257-F259 HydrophobicContact CB-CD2 4.27Å; R257-F259 HydrophobicContact CB-CE2 3.78Å; R257-F259 HydrophobicContact CB-CZ 4.41Å; R257-F259 HydrophobicContact CG-CE2 4.06Å; R257-F259 HydrophobicContact CG-CZ 4.19Å; F259-F268 HydrophobicContact CD1-CB 3.45Å; F259-F268 VanDerWaalsContact CD1-CB 3.45Å; F259-F268 HydrophobicContact CD1-CD1 4.49Å; F259-F268 HydrophobicContact CD1-CG 4.31Å; F259-F268 HydrophobicContact CE1-CB 3.51Å; F259-F268 AromaticContact CE1-CD1 3.91Å; F259-F268 HydrophobicContact CE1-CD1 3.91Å; F259-F268 AromaticContact CE1-CG 3.89Å; F259-F268 HydrophobicContact CE1-CG 3.89Å; F259-F268 HydrophobicContact CG-CB 4.11Å; F259-F268 HydrophobicContact CZ-CB 4.22Å; F259-F268 HydrophobicContact CZ-CG 4.48Å
260I70.4Confident64.4Low1 Ų133.4 Ų33.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-116.5129.8168.8-51.6179.6000107.9S108 I109 M112 F237 Y258 S266 L267 F269S108-I260 WeakPolarHBondContact OG-CD1 3.12Å; I109-I260 HydrophobicContact CG1-CD1 4.33Å; M112-I260 HydrophobicContact CE-CB 3.95Å; M112-I260 HydrophobicContact CE-CG2 3.85Å; M112-I260 VanDerWaalsContact CE-O 3.27Å; M112-I260 WeakPolarHBondContact CE-O 3.38Å; F237-I260 HydrophobicContact CB-CG2 4.4Å; Y258-I260 HydrophobicContact CD1-CD1 4.39Å; Y258-I260 HydrophobicContact CD1-CG1 4.1Å; Y258-I260 HydrophobicContact CE1-CD1 3.81Å; Y258-I260 HydrophobicContact CE1-CG1 3.65Å; I260-S266 WeakPolarHBondContact O-CA 3.28Å; I260-L267 PolarHBondContact N-O 3.14Å; I260-L267 PolarHBondContact O-N 2.51Å; I260-F269 HydrophobicContact CD1-CE2 3.9Å; I260-F269 HydrophobicContact CG1-CE2 4.39Å
261Y70.5Confident65.5Low17 Ų1732.5 Ų32.57%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-144.2153.9-174.470.7-77.4000115.2F213 V217 S238 F240 R265F213-Y261 HydrophobicContact CE2-CD1 4.25Å; F213-Y261 HydrophobicContact CE2-CG 4.28Å; F213-Y261 HydrophobicContact CZ-CD1 4.26Å; F213-Y261 HydrophobicContact CZ-CD2 4.29Å; F213-Y261 AromaticContact CZ-CG 3.82Å; F213-Y261 HydrophobicContact CZ-CG 3.82Å; V217-Y261 HydrophobicContact CG1-CD2 4.41Å; V217-Y261 HydrophobicContact CG1-CE2 3.8Å; V217-Y261 HydrophobicContact CG2-CD2 4.2Å; V217-Y261 HydrophobicContact CG2-CE1 4.44Å; V217-Y261 HydrophobicContact CG2-CE2 4.02Å; V217-Y261 HydrophobicContact CG2-CG 4.49Å; S238-Y261 VanDerWaalsContact CB-CE1 3.46Å; S238-Y261 VanDerWaalsContact CB-CZ 3.46Å; S238-Y261 PolarHBondContact N-O 2.54Å; S238-Y261 WeakPolarHBondContact O-CD1 3.21Å; S238-Y261 PolarHBondContact O-N 2.71Å; F240-Y261 HydrophobicContact CD1-CD1 4.33Å; F240-Y261 AromaticContact CD1-CE1 3.79Å; F240-Y261 HydrophobicContact CD1-CE1 3.79Å; F240-Y261 HydrophobicContact CE1-CD1 4.32Å; F240-Y261 HydrophobicContact CE1-CE1 4.02Å; Y261-R265 WeakPolarHBondContact CA-O 3.29Å
262T69Low66.4Low38 Ų3826.4 Ų26.423%0.23314%0.137CC..  trans-111.6-171.3160.4690000108.8F237 E264 R265F237-T262 HydrophobicContact CD1-CG2 3.6Å; F237-T262 HydrophobicContact CE1-CG2 3.63Å; T262-E264 PolarHBondContact O-N 2.84Å; T262-R265 PolarHBondContact N-O 2.94Å; T262-R265 PolarHBondContact OG1-N 3.24Å; T262-R265 PolarHBondContact OG1-O 2.94Å
263T68Low67.1Low136 Ų13624.2 Ų24.283%0.83413%0.126SC*.SBendtrans-61.6-23.9-17843.90000115.1
264E68.4Low67.7Low112 Ų11226.2 Ų26.252%0.52313%0.134SC..SBendtrans-129.6-27.8-172.3-64.5174-167.700113.3N174 T262N174-E264 PolarHBondContact N-O 3Å; N174-E264 PolarHBondContact OD1-O 3.25Å; T262-E264 PolarHBondContact O-N 2.84Å
265R72Confident68Low35 Ų3529.5 Ų29.513%0.13215%0.152CC..EExtended strand (participates in β ladder)trans-115.9129-170.5-55.8176.8-174.5-179.1-1.8109.3N116 L119 D120 E123 Y171 L173 Y261 T262N116-R265 WeakPolarHBondContact OD1-CD 3.47Å; N116-R265 PolarHBondContact OD1-NH1 2.86Å; L119-R265 VanDerWaalsContact CD2-CZ 3.48Å; D120-R265 IonicContact OD1-CZ 2.66Å; D120-R265 IonicContact OD1-NH1 2.88Å; D120-R265 PolarHBondContact OD1-NH1 3.3Å; D120-R265 IonicContact OD1-NH2 3.19Å; D120-R265 PolarHBondContact OD1-NH2 2.97Å; D120-R265 IonicContact OD2-NH1 3.21Å; E123-R265 IonicContact OE1-NH2 3.96Å; Y171-R265 HydrophobicContact CE2-CB 4.16Å; L173-R265 HydrophobicContact CD1-CG 4.05Å; Y261-R265 WeakPolarHBondContact CA-O 3.29Å; T262-R265 PolarHBondContact N-O 2.94Å; T262-R265 PolarHBondContact OG1-N 3.24Å; T262-R265 PolarHBondContact OG1-O 2.94Å
266S72.6Confident68.3Low5 Ų530.3 Ų30.34%0.03515%0.153CC..EExtended strand (participates in β ladder)trans-137139.6173.870.50000113Y171 C172 F213 I260Y171-S266 VanDerWaalsContact CD2-O 3.28Å; Y171-S266 WeakPolarHBondContact CD2-O 3.41Å; C172-S266 WeakPolarHBondContact CB-OG 3.27Å; C172-S266 PolarHBondContact N-O 3.27Å; C172-S266 PolarHBondContact O-N 2.85Å; F213-S266 WeakPolarHBondContact CD1-OG 3.35Å; F213-S266 VanDerWaalsContact CE1-CB 3.41Å; F213-S266 WeakPolarHBondContact CE1-OG 3.21Å; F213-S266 WeakPolarHBondContact CZ-OG 3.39Å; I260-S266 WeakPolarHBondContact O-CA 3.28Å
267L75.4Confident68.6Low0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-129.5135.4-178-169.4149.1000108.8M112 F115 L136 I169 G170 I260 F269M112-L267 HydrophobicContact CE-CB 3.58Å; M112-L267 HydrophobicContact SD-CB 4.39Å; F115-L267 HydrophobicContact CD1-CD1 4.31Å; L136-L267 HydrophobicContact CD2-CD1 4.5Å; I169-L267 HydrophobicContact CG2-CD2 3.65Å; I169-L267 HydrophobicContact CG2-CG 4.2Å; G170-L267 CarbonylContact O-C 2.97Å; G170-L267 WeakPolarHBondContact O-CA 3.3Å; I260-L267 PolarHBondContact N-O 3.14Å; I260-L267 PolarHBondContact O-N 2.51Å; L267-F269 HydrophobicContact CD2-CD2 4.13Å; L267-F269 HydrophobicContact CD2-CE1 3.95Å; L267-F269 HydrophobicContact CD2-CE2 3.26Å; L267-F269 HydrophobicContact CD2-CZ 3.14Å
268F74.8Confident68.5Low0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-126.7145.5-172.670.1-98.9000112.9I169 G170 L177 Y180 I209 R257 Y258 F259 E270I169-F268 VanDerWaalsContact CA-O 3.31Å; I169-F268 WeakPolarHBondContact CA-O 3.4Å; I169-F268 WeakPolarHBondContact CG2-O 3.31Å; G170-F268 PolarHBondContact N-O 3.08Å; G170-F268 WeakPolarHBondContact O-CD1 3.34Å; G170-F268 PolarHBondContact O-N 3.34Å; L177-F268 HydrophobicContact CD1-CE1 3.93Å; L177-F268 HydrophobicContact CD1-CZ 4.27Å; Y180-F268 AromaticContact CD2-CE2 3.91Å; Y180-F268 HydrophobicContact CD2-CE2 3.91Å; Y180-F268 AromaticContact CD2-CZ 3.77Å; Y180-F268 HydrophobicContact CD2-CZ 3.77Å; Y180-F268 AromaticContact CE2-CE2 3.95Å; Y180-F268 HydrophobicContact CE2-CE2 3.95Å; Y180-F268 HydrophobicContact CE2-CZ 4.23Å; I209-F268 HydrophobicContact CG2-CE1 3.84Å; I209-F268 HydrophobicContact CG2-CE2 4.4Å; I209-F268 HydrophobicContact CG2-CZ 3.78Å; R257-F268 HydrophobicContact CG-CB 4.34Å; R257-F268 HydrophobicContact CG-CD2 3.79Å; R257-F268 HydrophobicContact CG-CE2 4.5Å; R257-F268 HydrophobicContact CG-CG 4.38Å; Y258-F268 CarbonylContact O-C 3.5Å; Y258-F268 VanDerWaalsContact O-CA 3.27Å; Y258-F268 WeakPolarHBondContact O-CA 3.22Å; F259-F268 HydrophobicContact CD1-CB 3.45Å; F259-F268 VanDerWaalsContact CD1-CB 3.45Å; F259-F268 HydrophobicContact CD1-CD1 4.49Å; F259-F268 HydrophobicContact CD1-CG 4.31Å; F259-F268 HydrophobicContact CE1-CB 3.51Å; F259-F268 AromaticContact CE1-CD1 3.91Å; F259-F268 HydrophobicContact CE1-CD1 3.91Å; F259-F268 AromaticContact CE1-CG 3.89Å; F259-F268 HydrophobicContact CE1-CG 3.89Å; F259-F268 HydrophobicContact CG-CB 4.11Å; F259-F268 HydrophobicContact CZ-CB 4.22Å; F259-F268 HydrophobicContact CZ-CG 4.48Å; F268-E270 HydrophobicContact CD2-CG 4.18Å; F268-E270 HydrophobicContact CE2-CG 4.19Å
269F71.6Confident68.6Low6 Ų636.4 Ų36.43%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-116.5137.2-179.6-60.6-90.3000109.9S108 L166 I169 R257 Y258 I260 L267 F271S108-F269 VanDerWaalsContact CB-CE2 3.46Å; L166-F269 HydrophobicContact CD1-CB 3.9Å; L166-F269 HydrophobicContact CD1-CD1 3.89Å; L166-F269 HydrophobicContact CD1-CG 4.39Å; L166-F269 HydrophobicContact CD2-CD1 4.42Å; I169-F269 HydrophobicContact CD1-CD1 4.46Å; I169-F269 HydrophobicContact CD1-CE1 4.2Å; I169-F269 HydrophobicContact CG1-CD1 4.1Å; I169-F269 HydrophobicContact CG1-CE1 4.27Å; I169-F269 HydrophobicContact CG2-CD1 4.19Å; I169-F269 HydrophobicContact CG2-CE1 3.98Å; I169-F269 HydrophobicContact CG2-CZ 4.46Å; R257-F269 WeakPolarHBondContact CA-O 3.16Å; Y258-F269 HydrophobicContact CD1-CD2 4.27Å; Y258-F269 PolarHBondContact N-O 2.58Å; Y258-F269 PolarHBondContact O-N 2.82Å; I260-F269 HydrophobicContact CD1-CE2 3.9Å; I260-F269 HydrophobicContact CG1-CE2 4.39Å; L267-F269 HydrophobicContact CD2-CD2 4.13Å; L267-F269 HydrophobicContact CD2-CE1 3.95Å; L267-F269 HydrophobicContact CD2-CE2 3.26Å; L267-F269 HydrophobicContact CD2-CZ 3.14Å; F269-F271 HydrophobicContact CB-CD2 4.47Å; F269-F271 HydrophobicContact CB-CE2 3.7Å; F269-F271 HydrophobicContact CB-CZ 4.04Å
270E69.8Low68.9Low4 Ų436.1 Ų36.12%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-110.2119.9-179.1-75.6-174.9162.300110.4M167 G168 Y180 I244 V255 R257 F268M167-E270 HydrophobicContact CB-CB 4.33Å; M167-E270 WeakPolarHBondContact CB-O 3.35Å; M167-E270 HydrophobicContact CE-CB 4.13Å; M167-E270 WeakPolarHBondContact CE-OE2 3.34Å; M167-E270 PolarHBondContact N-O 3.03Å; G168-E270 PolarHBondContact O-N 3.13Å; Y180-E270 VanDerWaalsContact CE2-OE2 3.26Å; Y180-E270 WeakPolarHBondContact CE2-OE2 3.38Å; Y180-E270 PolarHBondContact OH-OE2 3Å; I244-E270 HydrophobicContact CD1-CG 4.44Å; V255-E270 HydrophobicContact CG1-CB 3.47Å; V255-E270 VanDerWaalsContact CG1-CB 3.47Å; V255-E270 HydrophobicContact CG1-CG 3.72Å; R257-E270 HydrophobicContact CG-CG 4Å; R257-E270 IonicContact CZ-OE1 2.73Å; R257-E270 IonicContact NE-OE1 3.09Å; R257-E270 PolarHBondContact NE-OE1 2.89Å; R257-E270 IonicContact NH2-OE1 3.18Å; R257-E270 PolarHBondContact NH2-OE1 3.48Å; F268-E270 HydrophobicContact CD2-CG 4.18Å; F268-E270 HydrophobicContact CE2-CG 4.19Å
271F67.1Low69.3Low28 Ų2837.2 Ų37.212%0.12320%0.197CC..EExtended strand (participates in β ladder)trans-112.4133.1-178.7-63.6-83.9000112.3F101 H165 L166 W241 V255 L256 F269F101-F271 HydrophobicContact CD2-CE1 4.17Å; F101-F271 HydrophobicContact CD2-CZ 4.22Å; F101-F271 HydrophobicContact CE2-CE1 4.1Å; F101-F271 HydrophobicContact CE2-CE2 4.1Å; F101-F271 AromaticContact CE2-CZ 3.73Å; F101-F271 HydrophobicContact CE2-CZ 3.73Å; H165-F271 WeakPolarHBondContact O-CA 3.43Å; L166-F271 HydrophobicContact CD1-CD1 4.47Å; L166-F271 HydrophobicContact CD1-CE1 4.11Å; L166-F271 HydrophobicContact CD1-CZ 4.28Å; W241-F271 HydrophobicContact CZ3-CD2 4.3Å; W241-F271 HydrophobicContact CZ3-CE2 4.48Å; V255-F271 WeakPolarHBondContact CA-O 3.41Å; L256-F271 PolarHBondContact N-O 3.04Å; L256-F271 PolarHBondContact O-N 2.81Å; F269-F271 HydrophobicContact CB-CD2 4.47Å; F269-F271 HydrophobicContact CB-CE2 3.7Å; F269-F271 HydrophobicContact CB-CZ 4.04Å
272D64.3Low69.5Low27 Ų2740 Ų4014%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-80.9117.6176.5-175-9.7000111.9H165 P253 K274H165-D272 PolarHBondContact ND1-O 3.47Å; H165-D272 PolarHBondContact O-N 3Å; P253-D272 HydrophobicContact CB-CB 4.13Å; P253-D272 WeakPolarHBondContact CB-OD1 3.17Å; P253-D272 HydrophobicContact CG-CB 4.12Å; P253-D272 VanDerWaalsContact CG-CG 3.41Å; P253-D272 WeakPolarHBondContact CG-OD2 3.39Å; D272-K274 WeakPolarHBondContact OD1-CB 3.12Å; D272-K274 VanDerWaalsContact OD1-CG 3.31Å; D272-K274 WeakPolarHBondContact OD1-CG 3.35Å; D272-K274 PolarHBondContact OD1-N 3.42Å
273L63Low69.5Low15 Ų1541 Ų418%0.07923%0.227CC..  trans-88.3-6.5178.6-73.6173.2000115.1I254 L256 D275 Y276 F304I254-L273 HydrophobicContact CB-CB 4.24Å; I254-L273 HydrophobicContact CG2-CB 4.04Å; I254-L273 HydrophobicContact CG2-CD1 3.99Å; I254-L273 PolarHBondContact O-N 3.04Å; L256-L273 HydrophobicContact CB-CD1 4.03Å; L256-L273 HydrophobicContact CB-CG 4.34Å; L273-D275 PolarHBondContact O-N 3.49Å; L273-D275 VanDerWaalsContact O-N 3.12Å; L273-Y276 HydrophobicContact CD2-CG 4.37Å; L273-Y276 WeakPolarHBondContact O-CB 3.24Å; L273-Y276 PolarHBondContact O-N 2.88Å; L273-F304 HydrophobicContact CB-CD2 4.41Å; L273-F304 HydrophobicContact CD1-CE2 4.38Å; L273-F304 HydrophobicContact CD1-CZ 4.46Å; L273-F304 HydrophobicContact CD2-CE2 4.43Å; L273-F304 WeakPolarHBondContact O-CB 3.44Å
274K61.4Low69.5Low53 Ų5340.5 Ų40.523%0.2322%0.219CC..THydrogen-bonded Turntrans-52.7-38.6-175-78.3169.21701580113.8P253 D272 Y302 A303P253-K274 HydrophobicContact CB-CD 3.86Å; P253-K274 HydrophobicContact CB-CG 4.22Å; P253-K274 HydrophobicContact CG-CD 4.14Å; D272-K274 WeakPolarHBondContact OD1-CB 3.12Å; D272-K274 VanDerWaalsContact OD1-CG 3.31Å; D272-K274 WeakPolarHBondContact OD1-CG 3.35Å; D272-K274 PolarHBondContact OD1-N 3.42Å; K274-Y302 HydrophobicContact CB-CD1 4.45Å; K274-Y302 HydrophobicContact CG-CD1 4.16Å; K274-Y302 HydrophobicContact CG-CE1 4.44Å; K274-A303 PolarHBondContact O-N 3.16Å
275D62.3Low69.6Low92 Ų9235.9 Ų35.949%0.49220%0.198SC..THydrogen-bonded Turntrans-94.2-0.6-177-72.4-26.2000113.8L273 T277L273-D275 PolarHBondContact O-N 3.49Å; L273-D275 VanDerWaalsContact O-N 3.12Å; D275-T277 PolarHBondContact O-N 3.11Å
276Y65.7Low69.8Low32 Ų3236.1 Ų36.113%0.12520%0.202CC..  trans-75.8113.1178.5-171.9-88.4000111.6L91 I92 S96 L273 I278 A303 F304L91-Y276 PolarHBondContact O-OH 2.89Å; I92-Y276 HydrophobicContact CG2-CE2 4.19Å; S96-Y276 PolarHBondContact OG-OH 3.29Å; L273-Y276 HydrophobicContact CD2-CG 4.37Å; L273-Y276 WeakPolarHBondContact O-CB 3.24Å; L273-Y276 PolarHBondContact O-N 2.88Å; Y276-I278 HydrophobicContact CD1-CG1 4.3Å; Y276-I278 HydrophobicContact CE1-CG1 4.46Å; Y276-I278 PolarHBondContact O-N 3.11Å; Y276-A303 CarbonylContact O-C 3.58Å; Y276-A303 WeakPolarHBondContact O-CB 3.33Å; Y276-F304 AromaticContact CD1-CD2 3.97Å; Y276-F304 HydrophobicContact CD1-CD2 3.97Å; Y276-F304 HydrophobicContact CD1-CE2 4.27Å; Y276-F304 WeakPolarHBondContact O-CA 3.48Å; Y276-F304 PolarHBondContact O-N 2.93Å; Y276-F304 VanDerWaalsContact O-N 3.14Å
277T67.5Low70Confident86 Ų8639 Ų3953%0.52821%0.212SC..  trans-79115.7179.451.50000112D275 A303D275-T277 PolarHBondContact O-N 3.11Å; T277-A303 HydrophobicContact CG2-CB 3.86Å
278I66.7Low70.2Confident11 Ų1140.4 Ų40.46%0.05622%0.221CC..  trans-86.6117.4164.9-54.8174.4000107.9V19 Y276 Q280 L283 Y296 F304V19-I278 HydrophobicContact CG2-CD1 4.15Å; Y276-I278 HydrophobicContact CD1-CG1 4.3Å; Y276-I278 HydrophobicContact CE1-CG1 4.46Å; Y276-I278 PolarHBondContact O-N 3.11Å; I278-Q280 HydrophobicContact CG2-CG 4.45Å; I278-Q280 PolarHBondContact O-NE2 2.97Å; I278-Q280 PolarHBondContact O-OE1 3.17Å; I278-L283 HydrophobicContact CG2-CD1 4.01Å; I278-Y296 VanDerWaalsContact O-CE2 3.31Å; I278-Y296 WeakPolarHBondContact O-CE2 3.41Å; I278-F304 HydrophobicContact CD1-CD2 3.84Å; I278-F304 HydrophobicContact CD1-CE2 3.85Å; I278-F304 HydrophobicContact CD1-CG 4.19Å; I278-F304 HydrophobicContact CD1-CZ 4.2Å; I278-F304 HydrophobicContact CG1-CD2 4.06Å; I278-F304 HydrophobicContact CG1-CE2 4.29Å
279D71.6Confident70.4Confident61 Ų6141.1 Ų41.133%0.32623%0.229SC..  trans-95.6100.2170.9-176-15.7000110.2C281 A282 L283 Y296D279-C281 PolarHBondContact O-N 3.08Å; D279-C281 WeakPolarHBondContact OD1-CA 3.47Å; D279-C281 VanDerWaalsContact OD1-CB 3.28Å; D279-C281 WeakPolarHBondContact OD1-CB 3.36Å; D279-C281 PolarHBondContact OD1-N 2.86Å; D279-A282 HydrophobicContact CB-CB 3.97Å; D279-A282 VanDerWaalsContact CG-CB 3.5Å; D279-A282 PolarHBondContact O-N 2.86Å; D279-A282 PolarHBondContact OD1-N 3.21Å; D279-A282 WeakPolarHBondContact OD2-CB 3.27Å; D279-L283 WeakPolarHBondContact O-CB 3.32Å; D279-L283 WeakPolarHBondContact O-CD1 3.5Å; D279-L283 VanDerWaalsContact O-CG 3.28Å; D279-L283 WeakPolarHBondContact O-CG 3.32Å; D279-L283 PolarHBondContact O-N 3.26Å; D279-L283 VanDerWaalsContact O-N 3.14Å; D279-Y296 HydrophobicContact CB-CD2 4.44Å
280Q75.6Confident70.8Confident0 Ų045.5 Ų45.50%027%0.266CS..THydrogen-bonded Turntrans-69.4-21.5-179.7-51.476.712.900112.1I278 N284 I285 S305 M306 N308 Y309I278-Q280 HydrophobicContact CG2-CG 4.45Å; I278-Q280 PolarHBondContact O-NE2 2.97Å; I278-Q280 PolarHBondContact O-OE1 3.17Å; Q280-N284 CarbonylContact O-C 3.52Å; Q280-N284 PolarHBondContact O-N 3.11Å; Q280-I285 CarbonylContact O-C 3.55Å; Q280-I285 PolarHBondContact O-N 3.38Å; Q280-S305 PolarHBondContact NE2-O 3.35Å; Q280-M306 HydrophobicContact CG-CE 4.35Å; Q280-N308 PolarHBondContact OE1-O 3.23Å; Q280-Y309 HydrophobicContact CB-CD1 3.9Å; Q280-Y309 HydrophobicContact CB-CE1 4.49Å; Q280-Y309 HydrophobicContact CB-CG 4.3Å; Q280-Y309 HydrophobicContact CG-CD1 3.87Å; Q280-Y309 HydrophobicContact CG-CE1 4.44Å
281C78.8Confident71.4Confident24 Ų2446.1 Ų46.116%0.16227%0.27CS..THydrogen-bonded Turntrans-78.4-47.5176.8-55.70000110.6D279 L283 N284 C294 V295 Y296D279-C281 PolarHBondContact O-N 3.08Å; D279-C281 WeakPolarHBondContact OD1-CA 3.47Å; D279-C281 VanDerWaalsContact OD1-CB 3.28Å; D279-C281 WeakPolarHBondContact OD1-CB 3.36Å; D279-C281 PolarHBondContact OD1-N 2.86Å; C281-L283 VanDerWaalsContact C-N 3.28Å; C281-L283 PolarHBondContact O-N 2.84Å; C281-N284 PolarHBondContact O-N 3.39Å; C281-N284 VanDerWaalsContact O-N 3.14Å; C281-C294 WeakPolarHBondContact CA-SG 3.47Å; C281-C294 HydrophobicContact CB-CB 3.71Å; C281-C294 WeakPolarHBondContact CB-SG 3.32Å; C281-C294 WeakPolarHBondContact SG-CB 3.49Å; C281-C294 CovalentContact SG-SG 2.04Å; C281-C294 PolarHBondContact SG-SG 3.4Å; C281-V295 PolarHBondContact SG-N 2.91Å; C281-Y296 PolarHBondContact SG-N 3.32Å
282A74Confident72.2Confident75 Ų7545.5 Ų45.562%0.6227%0.268SS*.THydrogen-bonded Turntrans-62.9-3417600000112.8D279 N284D279-A282 HydrophobicContact CB-CB 3.97Å; D279-A282 VanDerWaalsContact CG-CB 3.5Å; D279-A282 PolarHBondContact O-N 2.86Å; D279-A282 PolarHBondContact OD1-N 3.21Å; D279-A282 WeakPolarHBondContact OD2-CB 3.27Å; A282-N284 VanDerWaalsContact C-N 3.34Å
283L68.1Low73.2Confident60 Ų6052.4 Ų52.431%0.31429%0.293SS..THydrogen-bonded Turntrans-82.5-4.3176.5-64.8168.4000114L91 I278 D279 C281 I285L91-L283 HydrophobicContact CD2-CD1 3.74Å; L91-L283 HydrophobicContact CD2-CD2 4.05Å; L91-L283 HydrophobicContact CD2-CG 4.5Å; I278-L283 HydrophobicContact CG2-CD1 4.01Å; D279-L283 WeakPolarHBondContact O-CB 3.32Å; D279-L283 WeakPolarHBondContact O-CD1 3.5Å; D279-L283 VanDerWaalsContact O-CG 3.28Å; D279-L283 WeakPolarHBondContact O-CG 3.32Å; D279-L283 PolarHBondContact O-N 3.26Å; D279-L283 VanDerWaalsContact O-N 3.14Å; C281-L283 VanDerWaalsContact C-N 3.28Å; C281-L283 PolarHBondContact O-N 2.84Å; L283-I285 HydrophobicContact CB-CD1 3.85Å; L283-I285 HydrophobicContact CB-CG1 3.77Å; L283-I285 HydrophobicContact CD1-CD1 4.21Å; L283-I285 WeakPolarHBondContact O-CG1 3.23Å; L283-I285 PolarHBondContact O-N 2.91Å
284N69.4Low74.3Confident125 Ų12552.9 Ų52.967%0.66830%0.296SS*.THydrogen-bonded Turntrans56.223.1-170.2-76.9-47.7000115.2Q280 C281 A282 N286Q280-N284 CarbonylContact O-C 3.52Å; Q280-N284 PolarHBondContact O-N 3.11Å; C281-N284 PolarHBondContact O-N 3.39Å; C281-N284 VanDerWaalsContact O-N 3.14Å; A282-N284 VanDerWaalsContact C-N 3.34Å; N284-N286 PolarHBondContact O-N 3.19Å
285I70.2Confident75.5Confident15 Ų1552.9 Ų52.98%0.07730%0.301CS..  trans-92.945.8177.7-45.9177.2000110.1E12 L15 L91 Q280 L283 M306E12-I285 HydrophobicContact CB-CG2 3.72Å; E12-I285 HydrophobicContact CG-CG2 3.48Å; E12-I285 VanDerWaalsContact CG-CG2 3.48Å; L15-I285 HydrophobicContact CD2-CD1 3.75Å; L91-I285 HydrophobicContact CD2-CD1 4.19Å; Q280-I285 CarbonylContact O-C 3.55Å; Q280-I285 PolarHBondContact O-N 3.38Å; L283-I285 HydrophobicContact CB-CD1 3.85Å; L283-I285 HydrophobicContact CB-CG1 3.77Å; L283-I285 HydrophobicContact CD1-CD1 4.21Å; L283-I285 WeakPolarHBondContact O-CG1 3.23Å; L283-I285 PolarHBondContact O-N 2.91Å; I285-M306 HydrophobicContact CG2-CE 3.78Å
286N76.7Confident76.5Confident40 Ų4052 Ų5221%0.21429%0.291CS..  trans-116.7153.7-177.969.182.5000111.5N284 C288 C294 Y309N284-N286 PolarHBondContact O-N 3.19Å; N286-C288 WeakPolarHBondContact OD1-CB 3.37Å; N286-C288 PolarHBondContact OD1-N 3.12Å; N286-C288 PolarHBondContact OD1-SG 3.16Å; N286-C294 HydrophobicContact CB-CB 4.11Å; N286-C294 WeakPolarHBondContact CB-SG 3.12Å; N286-C294 VanDerWaalsContact CG-SG 3.59Å; N286-Y309 HydrophobicContact CB-CD2 4.12Å; N286-Y309 HydrophobicContact CB-CE2 3.95Å
287R75.9Confident77.3Confident66 Ų6653.4 Ų53.425%0.24930%0.298CS..  trans-107.934.1-176.9-62.7179.2-179.4166.2-7.9112.5E12 R16 I331 E332E12-R287 IonicContact OE1-CZ 3.96Å; E12-R287 IonicContact OE1-NE 2.66Å; E12-R287 PolarHBondContact OE1-NE 2.74Å; E12-R287 VanDerWaalsContact OE1-NE 3.13Å; E12-R287 IonicContact OE1-NH2 3.34Å; E12-R287 PolarHBondContact OE1-NH2 3.32Å; R16-R287 VanDerWaalsContact CZ-NH2 3.31Å; R287-I331 HydrophobicContact CB-CG2 4.03Å; R287-E332 IonicContact CZ-OE1 2.75Å; R287-E332 IonicContact CZ-OE2 3.59Å; R287-E332 IonicContact NH1-OE1 2.73Å; R287-E332 PolarHBondContact NH1-OE1 3.22Å; R287-E332 IonicContact NH1-OE2 2.67Å; R287-E332 PolarHBondContact NH1-OE2 3.33Å; R287-E332 IonicContact NH2-OE1 3.99Å
288C80.2Confident77.9Confident29 Ų2954.4 Ų54.420%0.19630%0.295CS..  trans-77.7136.5-177.9-59.90000111.5N286 T292 C311N286-C288 WeakPolarHBondContact OD1-CB 3.37Å; N286-C288 PolarHBondContact OD1-N 3.12Å; N286-C288 PolarHBondContact OD1-SG 3.16Å; C288-T292 WeakPolarHBondContact CB-OG1 3.34Å; C288-C311 WeakPolarHBondContact CA-SG 3.41Å; C288-C311 HydrophobicContact CB-CB 3.79Å; C288-C311 WeakPolarHBondContact CB-SG 3.41Å; C288-C311 VanDerWaalsContact SG-CA 3.54Å; C288-C311 WeakPolarHBondContact SG-CB 3.45Å; C288-C311 CovalentContact SG-SG 2.04Å; C288-C311 PolarHBondContact SG-SG 3.09Å
289G78.1Confident78.3Confident15 Ų1557.3 Ų57.316%0.15531%0.306CS..  trans-75.4163.3174.500000112.6T291 T292G289-T291 PolarHBondContact O-N 3.4Å; G289-T292 PolarHBondContact N-OG1 2.93Å; G289-T292 WeakPolarHBondContact O-CA 3.19Å; G289-T292 PolarHBondContact O-N 2.96Å; G289-T292 PolarHBondContact O-OG1 3.37Å
290A80.4Confident78.2Confident97 Ų9756.9 Ų56.980%0.80230%0.304SS*.THydrogen-bonded Turntrans-56.8-22.8-177.500000115.3T292 Y350A290-T292 VanDerWaalsContact C-N 3.32Å; A290-Y350 HydrophobicContact CB-CE1 4.48Å
291T82.6Confident77.7Confident18 Ų1861.6 Ų61.611%0.1133%0.334CS..THydrogen-bonded Turntrans-88.37.7175.463.10000113.5G289 S314 Y317 Y350 C351G289-T291 PolarHBondContact O-N 3.4Å; T291-S314 WeakPolarHBondContact O-CB 3.23Å; T291-S314 PolarHBondContact O-N 3.42Å; T291-S314 PolarHBondContact O-OG 2.9Å; T291-Y317 HydrophobicContact CG2-CD1 3.7Å; T291-Y317 HydrophobicContact CG2-CE1 3.5Å; T291-Y317 VanDerWaalsContact CG2-CE1 3.5Å; T291-Y317 HydrophobicContact CG2-CG 4.36Å; T291-Y350 HydrophobicContact CG2-CD1 4.22Å; T291-Y350 VanDerWaalsContact OG1-CA 3.3Å; T291-Y350 WeakPolarHBondContact OG1-CA 3.42Å; T291-C351 PolarHBondContact OG1-N 3.34Å
292T84.5Confident77.1Confident14 Ų1464.8 Ų64.89%0.08634%0.343CS..EExtended strand (participates in β ladder)trans-132.2159.4-175.454.80000112.1C288 G289 A290 C311 E312 S314 Y326 C351C288-T292 WeakPolarHBondContact CB-OG1 3.34Å; G289-T292 PolarHBondContact N-OG1 2.93Å; G289-T292 WeakPolarHBondContact O-CA 3.19Å; G289-T292 PolarHBondContact O-N 2.96Å; G289-T292 PolarHBondContact O-OG1 3.37Å; A290-T292 VanDerWaalsContact C-N 3.32Å; T292-C311 HydrophobicContact CG2-CB 4.26Å; T292-E312 CarbonylContact C-O 3.58Å; T292-E312 WeakPolarHBondContact CA-O 3.42Å; T292-E312 WeakPolarHBondContact CB-O 3.27Å; T292-S314 PolarHBondContact N-OG 3.34Å; T292-Y326 HydrophobicContact CG2-CD2 4.37Å; T292-C351 WeakPolarHBondContact CG2-SG 3.24Å
293R85.5Confident76.8Confident173 Ų17361.4 Ų61.465%0.65332%0.316SS*.EExtended strand (participates in β ladder)trans-121.2133.1177.5-177.1-180-175.71703.1109.6C311 E312R293-C311 CarbonylContact O-C 3.59Å; R293-C311 WeakPolarHBondContact O-CA 3.28Å; R293-E312 PolarHBondContact N-O 3.01Å; R293-E312 PolarHBondContact O-N 3.3Å
294C86.3Confident76.8Confident24 Ų2459 Ų5916%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-72.4131.6172.8-166.40000110.8C281 N286C281-C294 WeakPolarHBondContact CA-SG 3.47Å; C281-C294 HydrophobicContact CB-CB 3.71Å; C281-C294 WeakPolarHBondContact CB-SG 3.32Å; C281-C294 WeakPolarHBondContact SG-CB 3.49Å; C281-C294 CovalentContact SG-SG 2.04Å; C281-C294 PolarHBondContact SG-SG 3.4Å; N286-C294 HydrophobicContact CB-CB 4.11Å; N286-C294 WeakPolarHBondContact CB-SG 3.12Å; N286-C294 VanDerWaalsContact CG-SG 3.59Å
295V86Confident76.7Confident54 Ų5453.3 Ų53.333%0.32727%0.272SS..EExtended strand (participates in β ladder)trans-132.3127.3171.2-176.60000108.7C281 K297 Y309 M310 E312C281-V295 PolarHBondContact SG-N 2.91Å; V295-K297 PolarHBondContact O-N 3.2Å; V295-Y309 WeakPolarHBondContact O-CA 3.28Å; V295-M310 PolarHBondContact N-O 2.67Å; V295-M310 PolarHBondContact O-N 2.98Å; V295-E312 HydrophobicContact CG2-CB 4.27Å
296Y83.8Confident76.8Confident72 Ų7252.6 Ų52.628%0.28227%0.269SS..EExtended strand (participates in β ladder)trans-65.7129.8174.9175.2-95.8000110.3I278 D279 C281 N308I278-Y296 VanDerWaalsContact O-CE2 3.31Å; I278-Y296 WeakPolarHBondContact O-CE2 3.41Å; D279-Y296 HydrophobicContact CB-CD2 4.44Å; C281-Y296 PolarHBondContact SG-N 3.32Å; Y296-N308 HydrophobicContact CD2-CB 4.41Å; Y296-N308 WeakPolarHBondContact CD2-O 3.49Å; Y296-N308 HydrophobicContact CE2-CB 3.71Å; Y296-N308 WeakPolarHBondContact CE2-O 3.45Å
297K81.8Confident76.7Confident62 Ų6252.3 Ų52.327%0.2727%0.267SS..  trans-155.6113.5-176.6-176.1167.1168.6-164.90110.1V295 Y299 N308 Y309 M310 E323V295-K297 PolarHBondContact O-N 3.2Å; K297-Y299 HydrophobicContact CB-CE2 4.01Å; K297-Y299 HydrophobicContact CD-CE1 4.47Å; K297-Y299 HydrophobicContact CD-CE2 4.15Å; K297-Y299 VanDerWaalsContact CD-OH 3.29Å; K297-Y299 WeakPolarHBondContact CD-OH 3.43Å; K297-Y299 VanDerWaalsContact CE-OH 3.29Å; K297-Y299 WeakPolarHBondContact CE-OH 3.27Å; K297-Y299 HydrophobicContact CG-CE2 3.93Å; K297-Y299 PolarHBondContact NZ-OH 3.35Å; K297-Y299 VanDerWaalsContact NZ-OH 3.13Å; K297-Y299 WeakPolarHBondContact O-CD2 3.47Å; K297-Y299 PolarHBondContact O-N 3.09Å; K297-N308 CarbonylContact C-O 3.58Å; K297-N308 PolarHBondContact N-O 3.32Å; K297-N308 CarbonylContact O-C 3.6Å; K297-N308 VanDerWaalsContact O-CA 3.26Å; K297-N308 WeakPolarHBondContact O-CA 3.46Å; K297-Y309 PolarHBondContact O-N 3.45Å; K297-M310 HydrophobicContact CB-CB 4.4Å; K297-M310 HydrophobicContact CD-CB 4.4Å; K297-M310 HydrophobicContact CD-SD 4.09Å; K297-E323 IonicContact NZ-OE1 3.25Å; K297-E323 PolarHBondContact NZ-OE1 2.94Å; K297-E323 IonicContact NZ-OE2 2.9Å; K297-E323 PolarHBondContact NZ-OE2 3.39Å
298K80Confident76.9Confident108 Ų10849.2 Ų49.247%0.4726%0.256SS..  trans-68.4112.1-177.3-175.2174.3179.9177.40111N300 P301 N308K298-N300 WeakPolarHBondContact CE-O 3.45Å; K298-N300 VanDerWaalsContact CG-O 3.24Å; K298-N300 WeakPolarHBondContact CG-O 3.32Å; K298-P301 WeakPolarHBondContact CE-O 3.33Å; K298-P301 PolarHBondContact NZ-O 2.92Å; K298-N308 WeakPolarHBondContact CA-OD1 3.13Å
299Y74.8Confident77.1Confident72 Ų7247.8 Ų47.828%0.28225%0.246SC..  trans-102.6-35.2172.7-71.1-76.1000111.8K297 N308 Y309 M310 E323 P327 P329K297-Y299 HydrophobicContact CB-CE2 4.01Å; K297-Y299 HydrophobicContact CD-CE1 4.47Å; K297-Y299 HydrophobicContact CD-CE2 4.15Å; K297-Y299 VanDerWaalsContact CD-OH 3.29Å; K297-Y299 WeakPolarHBondContact CD-OH 3.43Å; K297-Y299 VanDerWaalsContact CE-OH 3.29Å; K297-Y299 WeakPolarHBondContact CE-OH 3.27Å; K297-Y299 HydrophobicContact CG-CE2 3.93Å; K297-Y299 PolarHBondContact NZ-OH 3.35Å; K297-Y299 VanDerWaalsContact NZ-OH 3.13Å; K297-Y299 WeakPolarHBondContact O-CD2 3.47Å; K297-Y299 PolarHBondContact O-N 3.09Å; Y299-N308 PolarHBondContact N-OD1 3.47Å; Y299-Y309 WeakPolarHBondContact CE2-O 3.3Å; Y299-M310 HydrophobicContact CE2-CB 4.29Å; Y299-M310 PolarHBondContact OH-SD 2.85Å; Y299-M310 VanDerWaalsContact OH-SD 3.38Å; Y299-E323 PolarHBondContact OH-OE2 3.24Å; Y299-E323 VanDerWaalsContact OH-OE2 3.1Å; Y299-P327 HydrophobicContact CE1-CB 3.94Å; Y299-P327 HydrophobicContact CE2-CB 3.85Å; Y299-P327 VanDerWaalsContact CZ-CB 3.49Å; Y299-P327 WeakPolarHBondContact OH-CB 3.27Å; Y299-P329 HydrophobicContact CG-CG 4.4Å
300N70Confident77.4Confident52 Ų5247.7 Ų47.728%0.27824%0.242SC..SBendtrans-91.3153.4-179.1-76-25.1000111.9K298 Y302 S305 N308K298-N300 WeakPolarHBondContact CE-O 3.45Å; K298-N300 VanDerWaalsContact CG-O 3.24Å; K298-N300 WeakPolarHBondContact CG-O 3.32Å; N300-Y302 VanDerWaalsContact C-N 3.28Å; N300-Y302 PolarHBondContact O-N 3.24Å; N300-S305 PolarHBondContact ND2-OG 3.48Å; N300-N308 PolarHBondContact N-OD1 3.41Å; N300-N308 VanDerWaalsContact N-OD1 3.08Å
301P65.3Low77.7Confident98 Ų9843 Ų4364%0.63620%0.203SC*.SBendtrans-64.6-31.4-177.324.6-34.1000113.1K298K298-P301 WeakPolarHBondContact CE-O 3.33Å; K298-P301 PolarHBondContact NZ-O 2.92Å
302Y66.2Low77.9Confident91 Ų9146.1 Ų46.136%0.35722%0.216SC..SBendtrans-86.7145.9175.2-50-65.4000111.3H23 K274 N300 F304 N308H23-Y302 AromaticContact CE1-CD2 3.83Å; K274-Y302 HydrophobicContact CB-CD1 4.45Å; K274-Y302 HydrophobicContact CG-CD1 4.16Å; K274-Y302 HydrophobicContact CG-CE1 4.44Å; N300-Y302 VanDerWaalsContact C-N 3.28Å; N300-Y302 PolarHBondContact O-N 3.24Å; Y302-F304 VanDerWaalsContact C-N 3.33Å; Y302-N308 PolarHBondContact O-ND2 3.08Å; Y302-N308 VanDerWaalsContact O-ND2 3.08Å
303A66.6Low77.9Confident5 Ų545.9 Ų45.94%0.04122%0.216CC..SBendtrans-71.2-34.2172.600000111.3K274 Y276 T277 S305 N308K274-A303 PolarHBondContact O-N 3.16Å; Y276-A303 CarbonylContact O-C 3.58Å; Y276-A303 WeakPolarHBondContact O-CB 3.33Å; T277-A303 HydrophobicContact CG2-CB 3.86Å; A303-S305 PolarHBondContact O-N 3.46Å; A303-N308 PolarHBondContact O-ND2 2.81Å; A303-N308 VanDerWaalsContact O-ND2 3.13Å
304F67.9Low77.8Confident10 Ų1039 Ų394%0.04419%0.194CC..SBendtrans-79.779.6178.8-162.3-92.1000111.7V19 I22 H23 L273 Y276 I278 Y302V19-F304 HydrophobicContact CG2-CD1 4.47Å; V19-F304 HydrophobicContact CG2-CE1 3.84Å; V19-F304 HydrophobicContact CG2-CZ 4.27Å; I22-F304 HydrophobicContact CD1-CE1 3.78Å; I22-F304 HydrophobicContact CD1-CZ 4.27Å; H23-F304 PolarHBondContact NE2-O 2.89Å; L273-F304 HydrophobicContact CB-CD2 4.41Å; L273-F304 HydrophobicContact CD1-CE2 4.38Å; L273-F304 HydrophobicContact CD1-CZ 4.46Å; L273-F304 HydrophobicContact CD2-CE2 4.43Å; L273-F304 WeakPolarHBondContact O-CB 3.44Å; Y276-F304 AromaticContact CD1-CD2 3.97Å; Y276-F304 HydrophobicContact CD1-CD2 3.97Å; Y276-F304 HydrophobicContact CD1-CE2 4.27Å; Y276-F304 WeakPolarHBondContact O-CA 3.48Å; Y276-F304 PolarHBondContact O-N 2.93Å; Y276-F304 VanDerWaalsContact O-N 3.14Å; I278-F304 HydrophobicContact CD1-CD2 3.84Å; I278-F304 HydrophobicContact CD1-CE2 3.85Å; I278-F304 HydrophobicContact CD1-CG 4.19Å; I278-F304 HydrophobicContact CD1-CZ 4.2Å; I278-F304 HydrophobicContact CG1-CD2 4.06Å; I278-F304 HydrophobicContact CG1-CE2 4.29Å; Y302-F304 VanDerWaalsContact C-N 3.33Å
305S67.8Low77.4Confident4 Ų442.7 Ų42.73%0.02822%0.217CC..  trans-147.6155.7175.51800000110.1Q280 N300 A303 D307Q280-S305 PolarHBondContact NE2-O 3.35Å; N300-S305 PolarHBondContact ND2-OG 3.48Å; A303-S305 PolarHBondContact O-N 3.46Å; S305-D307 VanDerWaalsContact C-N 3.34Å; S305-D307 PolarHBondContact OG-N 3.01Å
306M71.7Confident76.8Confident1 Ų141.1 Ų41.11%0.00521%0.213CC..SBendtrans-82-13.7174.5-69.2-57.5-63.500113.2L15 R16 V19 Q280 I285 Y309L15-M306 HydrophobicContact CD2-CE 3.95Å; L15-M306 HydrophobicContact CD2-SD 3.7Å; L15-M306 HydrophobicContact CG-CE 4.3Å; L15-M306 HydrophobicContact CG-SD 3.74Å; R16-M306 HydrophobicContact CG-CE 4.06Å; R16-M306 HydrophobicContact CG-CG 4.12Å; V19-M306 HydrophobicContact CB-CG 3.97Å; V19-M306 HydrophobicContact CG1-CG 4.01Å; V19-M306 HydrophobicContact CG2-CG 3.99Å; V19-M306 HydrophobicContact CG2-SD 4.18Å; Q280-M306 HydrophobicContact CG-CE 4.35Å; I285-M306 HydrophobicContact CG2-CE 3.78Å; M306-Y309 WeakPolarHBondContact O-CD1 3.32Å; M306-Y309 WeakPolarHBondContact O-CE1 3.26Å
307D74.7Confident76.7Confident34 Ų3441.6 Ų41.618%0.18221%0.214CC..  trans-103.418-169.1-43.1-54.7000113.1S305 Y309 A328 P329S305-D307 VanDerWaalsContact C-N 3.34Å; S305-D307 PolarHBondContact OG-N 3.01Å; D307-Y309 PolarHBondContact O-N 3.07Å; D307-A328 HydrophobicContact CB-CB 4.12Å; D307-P329 HydrophobicContact CB-CG 4.08Å
308N80.4Confident76.6Confident0 Ų038.8 Ų38.80%020%0.202CC..  trans-88.639179.4-76.1-26.8000112.6Q280 Y296 K297 K298 Y299 N300 Y302 A303Q280-N308 PolarHBondContact OE1-O 3.23Å; Y296-N308 HydrophobicContact CD2-CB 4.41Å; Y296-N308 WeakPolarHBondContact CD2-O 3.49Å; Y296-N308 HydrophobicContact CE2-CB 3.71Å; Y296-N308 WeakPolarHBondContact CE2-O 3.45Å; K297-N308 CarbonylContact C-O 3.58Å; K297-N308 PolarHBondContact N-O 3.32Å; K297-N308 CarbonylContact O-C 3.6Å; K297-N308 VanDerWaalsContact O-CA 3.26Å; K297-N308 WeakPolarHBondContact O-CA 3.46Å; K298-N308 WeakPolarHBondContact CA-OD1 3.13Å; Y299-N308 PolarHBondContact N-OD1 3.47Å; N300-N308 PolarHBondContact N-OD1 3.41Å; N300-N308 VanDerWaalsContact N-OD1 3.08Å; Y302-N308 PolarHBondContact O-ND2 3.08Å; Y302-N308 VanDerWaalsContact O-ND2 3.08Å; A303-N308 PolarHBondContact O-ND2 2.81Å; A303-N308 VanDerWaalsContact O-ND2 3.13Å
309Y84Confident76.6Confident0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-137.3163.4174.474.4-81.8000113.3Q280 N286 V295 K297 Y299 M306 D307 A328 I331Q280-Y309 HydrophobicContact CB-CD1 3.9Å; Q280-Y309 HydrophobicContact CB-CE1 4.49Å; Q280-Y309 HydrophobicContact CB-CG 4.3Å; Q280-Y309 HydrophobicContact CG-CD1 3.87Å; Q280-Y309 HydrophobicContact CG-CE1 4.44Å; N286-Y309 HydrophobicContact CB-CD2 4.12Å; N286-Y309 HydrophobicContact CB-CE2 3.95Å; V295-Y309 WeakPolarHBondContact O-CA 3.28Å; K297-Y309 PolarHBondContact O-N 3.45Å; Y299-Y309 WeakPolarHBondContact CE2-O 3.3Å; M306-Y309 WeakPolarHBondContact O-CD1 3.32Å; M306-Y309 WeakPolarHBondContact O-CE1 3.26Å; D307-Y309 PolarHBondContact O-N 3.07Å; Y309-A328 HydrophobicContact CD1-CB 3.51Å; Y309-A328 HydrophobicContact CD2-CB 4.22Å; Y309-A328 HydrophobicContact CE1-CB 3.32Å; Y309-A328 HydrophobicContact CE2-CB 4.07Å; Y309-A328 HydrophobicContact CG-CB 3.95Å; Y309-A328 WeakPolarHBondContact O-CB 3.45Å; Y309-A328 PolarHBondContact O-N 2.83Å; Y309-I331 HydrophobicContact CE2-CD1 4.24Å
310M84.9Confident76.5Confident12 Ų1235.1 Ų35.16%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-131.8139.3174.6-169.9178.985.200109.8V295 K297 Y299 E312 E323V295-M310 PolarHBondContact N-O 2.67Å; V295-M310 PolarHBondContact O-N 2.98Å; K297-M310 HydrophobicContact CB-CB 4.4Å; K297-M310 HydrophobicContact CD-CB 4.4Å; K297-M310 HydrophobicContact CD-SD 4.09Å; Y299-M310 HydrophobicContact CE2-CB 4.29Å; Y299-M310 PolarHBondContact OH-SD 2.85Å; Y299-M310 VanDerWaalsContact OH-SD 3.38Å; M310-E312 HydrophobicContact CE-CB 3.79Å; M310-E312 HydrophobicContact CE-CG 4.09Å; M310-E323 HydrophobicContact SD-CB 4.15Å
311C86.9Confident76.6Confident0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-93.789.8168-59.10000108.7C288 T292 R293 G325 Y326 I331C288-C311 WeakPolarHBondContact CA-SG 3.41Å; C288-C311 HydrophobicContact CB-CB 3.79Å; C288-C311 WeakPolarHBondContact CB-SG 3.41Å; C288-C311 VanDerWaalsContact SG-CA 3.54Å; C288-C311 WeakPolarHBondContact SG-CB 3.45Å; C288-C311 CovalentContact SG-SG 2.04Å; C288-C311 PolarHBondContact SG-SG 3.09Å; T292-C311 HydrophobicContact CG2-CB 4.26Å; R293-C311 CarbonylContact O-C 3.59Å; R293-C311 WeakPolarHBondContact O-CA 3.28Å; C311-G325 CarbonylContact O-C 3.51Å; C311-G325 WeakPolarHBondContact O-CA 3.32Å; C311-Y326 PolarHBondContact N-O 3.28Å; C311-Y326 PolarHBondContact O-N 3.06Å; C311-I331 HydrophobicContact CB-CD1 4.28Å; C311-I331 VanDerWaalsContact SG-CD1 3.53Å
312E85.9Confident76.7Confident82 Ų8239 Ų3938%0.38321%0.206SC..EExtended strand (participates in β ladder)trans-68.3144.1174.6-170.2176.6-155.100110T292 R293 V295 M310 S314T292-E312 CarbonylContact C-O 3.58Å; T292-E312 WeakPolarHBondContact CA-O 3.42Å; T292-E312 WeakPolarHBondContact CB-O 3.27Å; R293-E312 PolarHBondContact N-O 3.01Å; R293-E312 PolarHBondContact O-N 3.3Å; V295-E312 HydrophobicContact CG2-CB 4.27Å; M310-E312 HydrophobicContact CE-CB 3.79Å; M310-E312 HydrophobicContact CE-CG 4.09Å; E312-S314 PolarHBondContact O-N 3.16Å
313C85.7Confident76.7Confident10 Ų1038.9 Ų38.97%0.06821%0.209CC..EExtended strand (participates in β ladder)trans-66.2135.2174.3-620000111.5Y317 T319 N324 C351C313-Y317 WeakPolarHBondContact CB-O 3.41Å; C313-T319 PolarHBondContact SG-N 3.11Å; C313-N324 PolarHBondContact N-O 3.14Å; C313-N324 PolarHBondContact SG-O 3.18Å; C313-N324 VanDerWaalsContact SG-O 3.36Å; C313-C351 WeakPolarHBondContact CA-SG 3.26Å; C313-C351 HydrophobicContact CB-CB 3.73Å; C313-C351 WeakPolarHBondContact CB-SG 3.43Å; C313-C351 WeakPolarHBondContact SG-CB 3.35Å; C313-C351 CovalentContact SG-SG 2.03Å; C313-C351 PolarHBondContact SG-SG 3.07Å
314S82.4Confident77.3Confident28 Ų2839.5 Ų39.520%0.19621%0.212CC..PPolyproline II helixtrans-65.3154.5175.1-67.60000111.3T291 T292 E312 G316 Y317T291-S314 WeakPolarHBondContact O-CB 3.23Å; T291-S314 PolarHBondContact O-N 3.42Å; T291-S314 PolarHBondContact O-OG 2.9Å; T292-S314 PolarHBondContact N-OG 3.34Å; E312-S314 PolarHBondContact O-N 3.16Å; S314-G316 PolarHBondContact O-N 3.42Å; S314-Y317 WeakPolarHBondContact O-CB 3.39Å; S314-Y317 PolarHBondContact O-N 3.48Å
315P78.9Confident77.9Confident101 Ų10139 Ų3966%0.65621%0.21SC*.THydrogen-bonded Turntrans-49.4137.4171.6-27.935.9000111.7
316G74Confident78.6Confident22 Ų2240.3 Ų40.323%0.22721%0.214CC..THydrogen-bonded Turntrans81.53.3-169.800000115.7S314 C354 F359S314-G316 PolarHBondContact O-N 3.42Å; G316-C354 WeakPolarHBondContact O-CB 3.33Å; G316-C354 PolarHBondContact O-N 3.35Å; G316-F359 PolarHBondContact N-O 2.98Å
317Y81.6Confident79.2Confident82 Ų8241.6 Ų41.632%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-134.5157.1176.6-58.8-96.2000113T291 C313 S314 R352 S353T291-Y317 HydrophobicContact CG2-CD1 3.7Å; T291-Y317 HydrophobicContact CG2-CE1 3.5Å; T291-Y317 VanDerWaalsContact CG2-CE1 3.5Å; T291-Y317 HydrophobicContact CG2-CG 4.36Å; C313-Y317 WeakPolarHBondContact CB-O 3.41Å; S314-Y317 WeakPolarHBondContact O-CB 3.39Å; S314-Y317 PolarHBondContact O-N 3.48Å; Y317-R352 CarbonylContact C-O 3.58Å; Y317-R352 VanDerWaalsContact CA-O 3.23Å; Y317-R352 WeakPolarHBondContact CA-O 3.5Å; Y317-S353 WeakPolarHBondContact CE1-OG 3.5Å
318Y79.7Confident79.5Confident3 Ų340 Ų401%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-145.1168.2177.376.2-80000113.8D320 N324 C351 R352 S353 C361 S363 N364Y318-D320 WeakPolarHBondContact CE2-OD1 3.45Å; Y318-N324 VanDerWaalsContact CA-OD1 3.27Å; Y318-N324 WeakPolarHBondContact CA-OD1 3.41Å; Y318-N324 WeakPolarHBondContact CB-OD1 3.34Å; Y318-C351 CarbonylContact O-C 3.53Å; Y318-C351 WeakPolarHBondContact O-CA 3.34Å; Y318-C351 VanDerWaalsContact O-CB 3.24Å; Y318-C351 WeakPolarHBondContact O-CB 3.47Å; Y318-R352 HydrophobicContact CD1-CB 4.21Å; Y318-R352 WeakPolarHBondContact CD1-O 3.47Å; Y318-R352 HydrophobicContact CE1-CB 3.65Å; Y318-R352 HydrophobicContact CE2-CB 4.41Å; Y318-R352 PolarHBondContact N-O 3.32Å; Y318-R352 PolarHBondContact O-N 3.09Å; Y318-R352 WeakPolarHBondContact OH-CD 3.26Å; Y318-R352 PolarHBondContact OH-NH1 3.36Å; Y318-S353 WeakPolarHBondContact CE1-O 3.35Å; Y318-C361 VanDerWaalsContact CB-SG 3.6Å; Y318-C361 WeakPolarHBondContact CD1-SG 3.32Å; Y318-S363 VanDerWaalsContact CD2-CA 3.46Å; Y318-S363 VanDerWaalsContact CE2-C 3.48Å; Y318-N364 HydrophobicContact CE2-CB 4.1Å; Y318-N364 VanDerWaalsContact CE2-N 3.3Å; Y318-N364 WeakPolarHBondContact OH-CA 3.14Å; Y318-N364 WeakPolarHBondContact OH-CB 3.35Å; Y318-N364 PolarHBondContact OH-OD1 3.25Å
319T80.3Confident79.5Confident12 Ų1242.4 Ų42.47%0.07423%0.23CC..  trans-138151165-174.40000109.4C313 N321 N324 G325 Y326C313-T319 PolarHBondContact SG-N 3.11Å; T319-N321 HydrophobicContact CG2-CB 3.99Å; T319-N321 PolarHBondContact O-N 2.83Å; T319-N324 PolarHBondContact N-OD1 3.32Å; T319-N324 VanDerWaalsContact N-OD1 3.07Å; T319-G325 VanDerWaalsContact CG2-N 3.29Å; T319-Y326 PolarHBondContact OG1-OH 3.04Å
320D72.7Confident79.3Confident91 Ų9145.2 Ų45.249%0.48724%0.244SC..SBendtrans-72.414.4-176-55.8-50.4000113.6Y318 R352Y318-D320 WeakPolarHBondContact CE2-OD1 3.45Å; D320-R352 IonicContact OD1-NH1 3.41Å; D320-R352 PolarHBondContact OD1-NH1 2.99Å; D320-R352 IonicContact OD2-CZ 2.75Å; D320-R352 IonicContact OD2-NH1 3.63Å; D320-R352 PolarHBondContact OD2-NH1 3.37Å; D320-R352 IonicContact OD2-NH2 2.7Å; D320-R352 PolarHBondContact OD2-NH2 3.17Å
321N70.4Confident79Confident62 Ų6244.7 Ų44.733%0.33224%0.242SC..SBendtrans-87.5145.9178.1-58.2-26.1000111.1T319 E323 N324 G325T319-N321 HydrophobicContact CG2-CB 3.99Å; T319-N321 PolarHBondContact O-N 2.83Å; N321-E323 PolarHBondContact O-N 3.43Å; N321-N324 PolarHBondContact O-N 3.18Å; N321-G325 PolarHBondContact ND2-O 3.18Å
322I67.5Low78.5Confident168 Ų16847 Ų4786%0.86225%0.252SS*.THydrogen-bonded Turntrans-48.2-38.1179.3-59.7171.8000113.1
323E67.9Low78.1Confident89 Ų8945.7 Ų45.742%0.41625%0.253SS..THydrogen-bonded Turntrans-93.47.3-175.5-51.3-153.9116.600114.7K297 Y299 M310 N321 G325K297-E323 IonicContact NZ-OE1 3.25Å; K297-E323 PolarHBondContact NZ-OE1 2.94Å; K297-E323 IonicContact NZ-OE2 2.9Å; K297-E323 PolarHBondContact NZ-OE2 3.39Å; Y299-E323 PolarHBondContact OH-OE2 3.24Å; Y299-E323 VanDerWaalsContact OH-OE2 3.1Å; M310-E323 HydrophobicContact SD-CB 4.15Å; N321-E323 PolarHBondContact O-N 3.43Å; E323-G325 PolarHBondContact O-N 3.28Å
324N77.4Confident77.6Confident18 Ų1849.9 Ų49.910%0.09627%0.27CS..SBendtrans4642.4-174.8-162.145.3000114.1C313 Y318 T319 N321 K362C313-N324 PolarHBondContact N-O 3.14Å; C313-N324 PolarHBondContact SG-O 3.18Å; C313-N324 VanDerWaalsContact SG-O 3.36Å; Y318-N324 VanDerWaalsContact CA-OD1 3.27Å; Y318-N324 WeakPolarHBondContact CA-OD1 3.41Å; Y318-N324 WeakPolarHBondContact CB-OD1 3.34Å; T319-N324 PolarHBondContact N-OD1 3.32Å; T319-N324 VanDerWaalsContact N-OD1 3.07Å; N321-N324 PolarHBondContact O-N 3.18Å; N324-K362 HydrophobicContact CB-CG 4.44Å
325G80.7Confident77.2Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-168.4-172.9178.300000112.5C311 T319 N321 E323C311-G325 CarbonylContact O-C 3.51Å; C311-G325 WeakPolarHBondContact O-CA 3.32Å; T319-G325 VanDerWaalsContact CG2-N 3.29Å; N321-G325 PolarHBondContact ND2-O 3.18Å; E323-G325 PolarHBondContact O-N 3.28Å
326Y84Confident76.8Confident32 Ų3250.3 Ų50.313%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-115.6113.7175.4-57.9-73.2000109.6T292 C311 T319 F349 Y350T292-Y326 HydrophobicContact CG2-CD2 4.37Å; C311-Y326 PolarHBondContact N-O 3.28Å; C311-Y326 PolarHBondContact O-N 3.06Å; T319-Y326 PolarHBondContact OG1-OH 3.04Å; Y326-F349 HydrophobicContact CD1-CD1 4.17Å; Y326-F349 HydrophobicContact CD2-CB 3.95Å; Y326-F349 HydrophobicContact CD2-CD1 4.42Å; Y326-F349 HydrophobicContact CE2-CB 4.24Å; Y326-F349 HydrophobicContact CG-CB 4.39Å; Y326-F349 HydrophobicContact CG-CD1 4.04Å; Y326-Y350 PolarHBondContact OH-O 2.96Å
327P84.2Confident76.9Confident27 Ų2753.1 Ų53.118%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-73.7144.4176.231.6-35.5000110.6Y299 L330 I331Y299-P327 HydrophobicContact CE1-CB 3.94Å; Y299-P327 HydrophobicContact CE2-CB 3.85Å; Y299-P327 VanDerWaalsContact CZ-CB 3.49Å; Y299-P327 WeakPolarHBondContact OH-CB 3.27Å; P327-L330 HydrophobicContact CG-CB 3.84Å; P327-L330 HydrophobicContact CG-CD2 4.45Å; P327-L330 WeakPolarHBondContact O-CB 3.35Å; P327-L330 PolarHBondContact O-N 3.37Å; P327-I331 PolarHBondContact O-N 3.33Å
328A81.3Confident76.3Confident0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-55.9-37.8-174.900000115.4D307 Y309 L330 I331 E332D307-A328 HydrophobicContact CB-CB 4.12Å; Y309-A328 HydrophobicContact CD1-CB 3.51Å; Y309-A328 HydrophobicContact CD2-CB 4.22Å; Y309-A328 HydrophobicContact CE1-CB 3.32Å; Y309-A328 HydrophobicContact CE2-CB 4.07Å; Y309-A328 HydrophobicContact CG-CB 3.95Å; Y309-A328 WeakPolarHBondContact O-CB 3.45Å; Y309-A328 PolarHBondContact O-N 2.83Å; A328-L330 VanDerWaalsContact C-N 3.25Å; A328-L330 PolarHBondContact O-N 3.07Å; A328-I331 WeakPolarHBondContact O-CA 3.37Å; A328-I331 WeakPolarHBondContact O-CB 3.4Å; A328-I331 PolarHBondContact O-N 3.47Å; A328-E332 PolarHBondContact O-N 2.98Å
329P79.8Confident75.8Confident52 Ų5255.2 Ų55.234%0.33829%0.29SS..Hα-helixtrans-58.7-33.3173.3-27.336.2000114.1Y299 D307 S333Y299-P329 HydrophobicContact CG-CG 4.4Å; D307-P329 HydrophobicContact CB-CG 4.08Å; P329-S333 WeakPolarHBondContact O-CB 3.47Å; P329-S333 PolarHBondContact O-N 3.47Å; P329-S333 PolarHBondContact O-OG 3.11Å; P329-S333 VanDerWaalsContact O-OG 3.12Å
330L80.1Confident75.3Confident58 Ų5861.9 Ų61.930%0.30432%0.322SS..Hα-helixtrans-75.1-29.5174.9-176.165.4000112.1P327 A328 S333 K334P327-L330 HydrophobicContact CG-CB 3.84Å; P327-L330 HydrophobicContact CG-CD2 4.45Å; P327-L330 WeakPolarHBondContact O-CB 3.35Å; P327-L330 PolarHBondContact O-N 3.37Å; A328-L330 VanDerWaalsContact C-N 3.25Å; A328-L330 PolarHBondContact O-N 3.07Å; L330-S333 PolarHBondContact O-OG 3.15Å; L330-K334 HydrophobicContact CD1-CD 4.47Å; L330-K334 HydrophobicContact CD1-CG 4.44Å; L330-K334 WeakPolarHBondContact O-CB 3.37Å; L330-K334 WeakPolarHBondContact O-CG 3.39Å; L330-K334 PolarHBondContact O-N 3.02Å
331I78.4Confident75.1Confident1 Ų162.8 Ų62.81%0.00533%0.327CS..Hα-helixtrans-69.1-48.9174.5-67.1172.3000109.8R287 Y309 C311 P327 A328 L335 F349R287-I331 HydrophobicContact CB-CG2 4.03Å; Y309-I331 HydrophobicContact CE2-CD1 4.24Å; C311-I331 HydrophobicContact CB-CD1 4.28Å; C311-I331 VanDerWaalsContact SG-CD1 3.53Å; P327-I331 PolarHBondContact O-N 3.33Å; A328-I331 WeakPolarHBondContact O-CA 3.37Å; A328-I331 WeakPolarHBondContact O-CB 3.4Å; A328-I331 PolarHBondContact O-N 3.47Å; I331-L335 WeakPolarHBondContact O-CB 3.32Å; I331-L335 PolarHBondContact O-N 3.37Å; I331-F349 HydrophobicContact CB-CE1 4.25Å; I331-F349 HydrophobicContact CB-CE2 4.33Å; I331-F349 HydrophobicContact CB-CZ 4.04Å; I331-F349 HydrophobicContact CG1-CD1 3.94Å; I331-F349 HydrophobicContact CG1-CD2 4.42Å; I331-F349 HydrophobicContact CG1-CE1 3.84Å; I331-F349 HydrophobicContact CG1-CE2 4.35Å; I331-F349 HydrophobicContact CG1-CG 4.24Å; I331-F349 HydrophobicContact CG1-CZ 4.07Å; I331-F349 HydrophobicContact CG2-CD2 4.24Å; I331-F349 HydrophobicContact CG2-CE2 3.74Å; I331-F349 HydrophobicContact CG2-CZ 3.91Å
332E75.8Confident74.4Confident48 Ų4867.3 Ų67.322%0.22435%0.351CS..Hα-helixtrans-66-44.8-179.4-152.869.9-140.300111.6R16 R287 A328 K334 L335 Q336R16-E332 IonicContact CZ-OE2 2.85Å; R16-E332 IonicContact NH1-OE1 3.22Å; R16-E332 IonicContact NH1-OE2 2.74Å; R16-E332 PolarHBondContact NH1-OE2 3.01Å; R16-E332 IonicContact NH2-OE2 3.91Å; R287-E332 IonicContact CZ-OE1 2.75Å; R287-E332 IonicContact CZ-OE2 3.59Å; R287-E332 IonicContact NH1-OE1 2.73Å; R287-E332 PolarHBondContact NH1-OE1 3.22Å; R287-E332 IonicContact NH1-OE2 2.67Å; R287-E332 PolarHBondContact NH1-OE2 3.33Å; R287-E332 IonicContact NH2-OE1 3.99Å; A328-E332 PolarHBondContact O-N 2.98Å; E332-K334 PolarHBondContact O-N 3.32Å; E332-L335 PolarHBondContact O-N 3.12Å; E332-Q336 WeakPolarHBondContact O-CB 3.47Å; E332-Q336 PolarHBondContact O-N 3.4Å
333S76.9Confident73.9Confident56 Ų5664.7 Ų64.739%0.39234%0.335SS..Hα-helixtrans-63.6-40.917967.60000112.5P329 L330 Q336 T337P329-S333 WeakPolarHBondContact O-CB 3.47Å; P329-S333 PolarHBondContact O-N 3.47Å; P329-S333 PolarHBondContact O-OG 3.11Å; P329-S333 VanDerWaalsContact O-OG 3.12Å; L330-S333 PolarHBondContact O-OG 3.15Å; S333-Q336 PolarHBondContact O-N 2.99Å; S333-T337 PolarHBondContact O-N 3.17Å; S333-T337 VanDerWaalsContact O-N 3.08Å; S333-T337 PolarHBondContact O-OG1 3.07Å
334K75.2Confident73.2Confident97 Ų9766.5 Ų66.542%0.42236%0.358SS..Hα-helixtrans-69.3-35.5175.9-77.7-170.1174.2-169.20112.8L330 E332 T337 A338 P347 F349L330-K334 HydrophobicContact CD1-CD 4.47Å; L330-K334 HydrophobicContact CD1-CG 4.44Å; L330-K334 WeakPolarHBondContact O-CB 3.37Å; L330-K334 WeakPolarHBondContact O-CG 3.39Å; L330-K334 PolarHBondContact O-N 3.02Å; E332-K334 PolarHBondContact O-N 3.32Å; K334-T337 WeakPolarHBondContact CA-OG1 3.22Å; K334-T337 PolarHBondContact O-OG1 3.49Å; K334-A338 PolarHBondContact O-N 3.15Å; K334-A338 VanDerWaalsContact O-N 3.08Å; K334-P347 HydrophobicContact CB-CG 4.38Å; K334-F349 HydrophobicContact CB-CE1 4.31Å; K334-F349 HydrophobicContact CB-CZ 4.05Å; K334-F349 HydrophobicContact CD-CE1 4.18Å
335L74.5Confident72.2Confident18 Ų1871.2 Ų71.29%0.09438%0.379CS..Hα-helixtrans-64.5-44.5172.9-174.969.7000111I331 E332 T337 A338 L339 L346I331-L335 WeakPolarHBondContact O-CB 3.32Å; I331-L335 PolarHBondContact O-N 3.37Å; E332-L335 PolarHBondContact O-N 3.12Å; L335-T337 VanDerWaalsContact C-N 3.31Å; L335-T337 PolarHBondContact O-N 2.92Å; L335-A338 PolarHBondContact O-N 3.05Å; L335-L339 HydrophobicContact CD1-CD1 4.49Å; L335-L339 HydrophobicContact CD2-CD1 4.36Å; L335-L339 HydrophobicContact CG-CD1 3.92Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 WeakPolarHBondContact O-CB 3.49Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.41Å; L335-L346 HydrophobicContact CD1-CD1 3.56Å; L335-L346 HydrophobicContact CD1-CD2 3.81Å; L335-L346 HydrophobicContact CD1-CG 3.54Å
336Q71.8Confident71.1Confident121 Ų12176.4 Ų76.457%0.56541%0.407SS*.Hα-helixtrans-62.7-36.5179.2-170.5174.83.100112.1E332 S333 M340E332-Q336 WeakPolarHBondContact O-CB 3.47Å; E332-Q336 PolarHBondContact O-N 3.4Å; S333-Q336 PolarHBondContact O-N 2.99Å; Q336-M340 VanDerWaalsContact O-CG 3.27Å; Q336-M340 WeakPolarHBondContact O-CG 3.43Å; Q336-M340 PolarHBondContact O-N 2.92Å
337T74.6Confident70Confident80 Ų8076.7 Ų76.749%0.49141%0.412SS..Hα-helixtrans-69.6-40.617348.80000113.1S333 K334 L335 L339 M340 N341S333-T337 PolarHBondContact O-N 3.17Å; S333-T337 VanDerWaalsContact O-N 3.08Å; S333-T337 PolarHBondContact O-OG1 3.07Å; K334-T337 WeakPolarHBondContact CA-OG1 3.22Å; K334-T337 PolarHBondContact O-OG1 3.49Å; L335-T337 VanDerWaalsContact C-N 3.31Å; L335-T337 PolarHBondContact O-N 2.92Å; T337-L339 VanDerWaalsContact C-N 3.34Å; T337-L339 PolarHBondContact O-N 3.44Å; T337-M340 PolarHBondContact O-N 2.91Å; T337-M340 VanDerWaalsContact O-N 3.16Å; T337-N341 VanDerWaalsContact O-CG 3.29Å; T337-N341 PolarHBondContact O-N 3.16Å; T337-N341 VanDerWaalsContact O-N 3.16Å
338A68.6Low68.9Low4 Ų482.6 Ų82.63%0.03343%0.431CS..Hα-helixtrans-63.1-41.5176.800000111.7K334 L335 M340 N341 D342 E343 P347K334-A338 PolarHBondContact O-N 3.15Å; K334-A338 VanDerWaalsContact O-N 3.08Å; L335-A338 PolarHBondContact O-N 3.05Å; A338-M340 PolarHBondContact O-N 3.2Å; A338-N341 PolarHBondContact O-N 3.48Å; A338-D342 PolarHBondContact O-N 3.23Å; A338-E343 PolarHBondContact O-N 3.15Å; A338-P347 HydrophobicContact CB-CG 4.2Å
339L69Low68.6Low126 Ų12683.7 Ų83.766%0.6644%0.436SS*.Hα-helixtrans-65.8-21.2175-70.9171.1000114.1L335 T337L335-L339 HydrophobicContact CD1-CD1 4.49Å; L335-L339 HydrophobicContact CD2-CD1 4.36Å; L335-L339 HydrophobicContact CG-CD1 3.92Å; L335-L339 HydrophobicContact CG-CG 4.36Å; L335-L339 WeakPolarHBondContact O-CB 3.49Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.41Å; T337-L339 VanDerWaalsContact C-N 3.34Å; T337-L339 PolarHBondContact O-N 3.44Å
340M71.3Confident68.5Low152 Ų15287 Ų8775%0.74944%0.442SS*.Hα-helixtrans-87.2-22.5174.3-74-73-160.700113Q336 T337 A338Q336-M340 VanDerWaalsContact O-CG 3.27Å; Q336-M340 WeakPolarHBondContact O-CG 3.43Å; Q336-M340 PolarHBondContact O-N 2.92Å; T337-M340 PolarHBondContact O-N 2.91Å; T337-M340 VanDerWaalsContact O-N 3.16Å; A338-M340 PolarHBondContact O-N 3.2Å
341N66.8Low68.6Low109 Ų10984.5 Ų84.558%0.58343%0.43SS*.Hα-helixtrans-97.6-1.1-174.7-69.4-7000113.8T337 A338 E343T337-N341 VanDerWaalsContact O-CG 3.29Å; T337-N341 PolarHBondContact O-N 3.16Å; T337-N341 VanDerWaalsContact O-N 3.16Å; A338-N341 PolarHBondContact O-N 3.48Å; N341-E343 HydrophobicContact CB-CG 3.97Å; N341-E343 PolarHBondContact O-N 3.29Å
342D56.1Low68.7Low157 Ų15790.6 Ų90.684%0.8445%0.453SS*.THydrogen-bonded Turntrans55.834.1-172.8-151.524000113.3A338 S344A338-D342 PolarHBondContact O-N 3.23Å; D342-S344 PolarHBondContact O-N 2.78Å
343E57.7Low68.9Low114 Ų11492.1 Ų92.153%0.53347%0.469SS..  trans-74.2109.8177.1-73.4-176.9147.400110.5A338 N341 E345A338-E343 PolarHBondContact O-N 3.15Å; N341-E343 HydrophobicContact CB-CG 3.97Å; N341-E343 PolarHBondContact O-N 3.29Å; E343-E345 PolarHBondContact O-N 2.91Å
344S52.8Low68.8Low127 Ų12790.2 Ų90.289%0.88846%0.455SS*.SBendtrans-68.6-12.8-176.156.50000115D342D342-S344 PolarHBondContact O-N 2.78Å
345E55.6Low68.5Low117 Ų11786.4 Ų86.455%0.54744%0.44SS..SBendtrans-105.2110.3166.5-67.6-145.3131.300111E343 R348E343-E345 PolarHBondContact O-N 2.91Å; E345-R348 VanDerWaalsContact CD-NH1 3.25Å; E345-R348 IonicContact OE1-CZ 3.21Å; E345-R348 IonicContact OE1-NH1 2.69Å; E345-R348 PolarHBondContact OE1-NH1 3.13Å; E345-R348 IonicContact OE1-NH2 2.71Å; E345-R348 PolarHBondContact OE1-NH2 3.49Å; E345-R348 IonicContact OE2-CZ 3.26Å; E345-R348 IonicContact OE2-NH1 2.96Å; E345-R348 PolarHBondContact OE2-NH1 2.94Å; E345-R348 IonicContact OE2-NH2 3.13Å
346L59.1Low67.9Low109 Ų10989.6 Ų89.657%0.57146%0.457SS*.  trans-52.5136170.5-132.672.1000110.4L335 R348L335-L346 HydrophobicContact CD1-CD1 3.56Å; L335-L346 HydrophobicContact CD1-CD2 3.81Å; L335-L346 HydrophobicContact CD1-CG 3.54Å; L346-R348 PolarHBondContact O-N 3.48Å
347P60.2Low67.4Low38 Ų3885.5 Ų85.525%0.24745%0.447CS..  trans-58106.3-179.320.2-32.6000111.1K334 A338 F349K334-P347 HydrophobicContact CB-CG 4.38Å; A338-P347 HydrophobicContact CB-CG 4.2Å; P347-F349 HydrophobicContact CB-CE2 4.49Å; P347-F349 HydrophobicContact CB-CZ 4.29Å; P347-F349 HydrophobicContact CG-CE2 4.25Å; P347-F349 HydrophobicContact CG-CZ 4.12Å; P347-F349 WeakPolarHBondContact O-CD2 3.32Å; P347-F349 WeakPolarHBondContact O-CE2 3.41Å; P347-F349 PolarHBondContact O-N 3.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å
348R61.6Low67Low150 Ų15082.3 Ų82.357%0.56643%0.428SS*.  trans-73.4104-176.7-70.1169.7174.81465.9109.6E345 L346 Y350E345-R348 VanDerWaalsContact CD-NH1 3.25Å; E345-R348 IonicContact OE1-CZ 3.21Å; E345-R348 IonicContact OE1-NH1 2.69Å; E345-R348 PolarHBondContact OE1-NH1 3.13Å; E345-R348 IonicContact OE1-NH2 2.71Å; E345-R348 PolarHBondContact OE1-NH2 3.49Å; E345-R348 IonicContact OE2-CZ 3.26Å; E345-R348 IonicContact OE2-NH1 2.96Å; E345-R348 PolarHBondContact OE2-NH1 2.94Å; E345-R348 IonicContact OE2-NH2 3.13Å; L346-R348 PolarHBondContact O-N 3.48Å; R348-Y350 HydrophobicContact CB-CD2 3.8Å; R348-Y350 HydrophobicContact CB-CE2 3.8Å; R348-Y350 HydrophobicContact CB-CG 4.42Å; R348-Y350 HydrophobicContact CG-CE2 4.08Å; R348-Y350 PolarHBondContact O-N 2.88Å
349F74.4Confident66.8Low24 Ų2490.8 Ų90.811%0.10547%0.465CS..  trans-72.254.2177.2-59.2-80.5000112.7Y326 I331 K334 P347Y326-F349 HydrophobicContact CD1-CD1 4.17Å; Y326-F349 HydrophobicContact CD2-CB 3.95Å; Y326-F349 HydrophobicContact CD2-CD1 4.42Å; Y326-F349 HydrophobicContact CE2-CB 4.24Å; Y326-F349 HydrophobicContact CG-CB 4.39Å; Y326-F349 HydrophobicContact CG-CD1 4.04Å; I331-F349 HydrophobicContact CB-CE1 4.25Å; I331-F349 HydrophobicContact CB-CE2 4.33Å; I331-F349 HydrophobicContact CB-CZ 4.04Å; I331-F349 HydrophobicContact CG1-CD1 3.94Å; I331-F349 HydrophobicContact CG1-CD2 4.42Å; I331-F349 HydrophobicContact CG1-CE1 3.84Å; I331-F349 HydrophobicContact CG1-CE2 4.35Å; I331-F349 HydrophobicContact CG1-CG 4.24Å; I331-F349 HydrophobicContact CG1-CZ 4.07Å; I331-F349 HydrophobicContact CG2-CD2 4.24Å; I331-F349 HydrophobicContact CG2-CE2 3.74Å; I331-F349 HydrophobicContact CG2-CZ 3.91Å; K334-F349 HydrophobicContact CB-CE1 4.31Å; K334-F349 HydrophobicContact CB-CZ 4.05Å; K334-F349 HydrophobicContact CD-CE1 4.18Å; P347-F349 HydrophobicContact CB-CE2 4.49Å; P347-F349 HydrophobicContact CB-CZ 4.29Å; P347-F349 HydrophobicContact CG-CE2 4.25Å; P347-F349 HydrophobicContact CG-CZ 4.12Å; P347-F349 WeakPolarHBondContact O-CD2 3.32Å; P347-F349 WeakPolarHBondContact O-CE2 3.41Å; P347-F349 PolarHBondContact O-N 3.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å
350Y77.9Confident66.8Low120 Ų12090.7 Ų90.747%0.47147%0.465SS..PPolyproline II helixtrans-85144.6172.4-60.9-40.1000111A290 T291 Y326 R348A290-Y350 HydrophobicContact CB-CE1 4.48Å; T291-Y350 HydrophobicContact CG2-CD1 4.22Å; T291-Y350 VanDerWaalsContact OG1-CA 3.3Å; T291-Y350 WeakPolarHBondContact OG1-CA 3.42Å; Y326-Y350 PolarHBondContact OH-O 2.96Å; R348-Y350 HydrophobicContact CB-CD2 3.8Å; R348-Y350 HydrophobicContact CB-CE2 3.8Å; R348-Y350 HydrophobicContact CB-CG 4.42Å; R348-Y350 HydrophobicContact CG-CE2 4.08Å; R348-Y350 PolarHBondContact O-N 2.88Å
351C83Confident66.7Low7 Ų784.2 Ų84.25%0.04743%0.434CS..PPolyproline II helixtrans-89148.3166.9-66.10000108.1T291 T292 C313 Y318T291-C351 PolarHBondContact OG1-N 3.34Å; T292-C351 WeakPolarHBondContact CG2-SG 3.24Å; C313-C351 WeakPolarHBondContact CA-SG 3.26Å; C313-C351 HydrophobicContact CB-CB 3.73Å; C313-C351 WeakPolarHBondContact CB-SG 3.43Å; C313-C351 WeakPolarHBondContact SG-CB 3.35Å; C313-C351 CovalentContact SG-SG 2.03Å; C313-C351 PolarHBondContact SG-SG 3.07Å; Y318-C351 CarbonylContact O-C 3.53Å; Y318-C351 WeakPolarHBondContact O-CA 3.34Å; Y318-C351 VanDerWaalsContact O-CB 3.24Å; Y318-C351 WeakPolarHBondContact O-CB 3.47Å
352R80.3Confident66.8Low128 Ų12886.4 Ų86.448%0.48344%0.439SS..EExtended strand (participates in β ladder)trans-74.5141.7175.1-62.1-175.7-162.2133.511.3109.2Y317 Y318 D320Y317-R352 CarbonylContact C-O 3.58Å; Y317-R352 VanDerWaalsContact CA-O 3.23Å; Y317-R352 WeakPolarHBondContact CA-O 3.5Å; Y318-R352 HydrophobicContact CD1-CB 4.21Å; Y318-R352 WeakPolarHBondContact CD1-O 3.47Å; Y318-R352 HydrophobicContact CE1-CB 3.65Å; Y318-R352 HydrophobicContact CE2-CB 4.41Å; Y318-R352 PolarHBondContact N-O 3.32Å; Y318-R352 PolarHBondContact O-N 3.09Å; Y318-R352 WeakPolarHBondContact OH-CD 3.26Å; Y318-R352 PolarHBondContact OH-NH1 3.36Å; D320-R352 IonicContact OD1-NH1 3.41Å; D320-R352 PolarHBondContact OD1-NH1 2.99Å; D320-R352 IonicContact OD2-CZ 2.75Å; D320-R352 IonicContact OD2-NH1 3.63Å; D320-R352 PolarHBondContact OD2-NH1 3.37Å; D320-R352 IonicContact OD2-NH2 2.7Å; D320-R352 PolarHBondContact OD2-NH2 3.17Å
353S78.5Confident67.3Low80 Ų8080.9 Ų80.956%0.55941%0.412SS*.EExtended strand (participates in β ladder)trans-58.5140.3171.5-47.80000110Y317 Y318Y317-S353 WeakPolarHBondContact CE1-OG 3.5Å; Y318-S353 WeakPolarHBondContact CE1-O 3.35Å
354C76.4Confident67.6Low16 Ų1680.7 Ų80.711%0.10842%0.415CS..PPolyproline II helixtrans-61.2155.1176.8-750000112.1G316 C358 C361G316-C354 WeakPolarHBondContact O-CB 3.33Å; G316-C354 PolarHBondContact O-N 3.35Å; C354-C358 HydrophobicContact CB-CB 3.67Å; C354-C361 WeakPolarHBondContact CA-SG 3.36Å; C354-C361 HydrophobicContact CB-CB 3.96Å; C354-C361 WeakPolarHBondContact CB-SG 3.36Å; C354-C361 WeakPolarHBondContact SG-CB 3.4Å; C354-C361 PolarHBondContact SG-N 3.4Å; C354-C361 VanDerWaalsContact SG-N 3.39Å; C354-C361 CovalentContact SG-SG 2.03Å; C354-C361 PolarHBondContact SG-SG 3.19Å
355P67.9Low68Low17 Ų1778.9 Ų78.911%0.1140%0.399CS..PPolyproline II helixtrans-52.4146.9168.1-2635.7000111.8G357 C358 L366P355-G357 PolarHBondContact O-N 3.03Å; P355-C358 WeakPolarHBondContact O-CB 3.34Å; P355-C358 PolarHBondContact O-N 3.36Å; P355-L366 HydrophobicContact CB-CD2 4.35Å
356I62.2Low68.2Low85 Ų8577.1 Ų77.144%0.43639%0.393SS..THydrogen-bonded Turntrans-63.8133.7-171.9-45.2158.1000109.3I577 E579I356-I577 HydrophobicContact CD1-CG2 3.59Å; I356-E579 HydrophobicContact CB-CG 4.4Å; I356-E579 HydrophobicContact CG2-CB 4.36Å; I356-E579 VanDerWaalsContact CG2-CD 3.48Å; I356-E579 HydrophobicContact CG2-CG 3.64Å; I356-E579 VanDerWaalsContact CG2-OE1 3.22Å; I356-E579 WeakPolarHBondContact CG2-OE1 3.49Å
357G60.4Low68.4Low35 Ų3573.4 Ų73.436%0.36138%0.375SS..THydrogen-bonded Turntrans91.9-8.7-170.600000115P355P355-G357 PolarHBondContact O-N 3.03Å
358C66.2Low68.4Low14 Ų1477.8 Ų77.810%0.09539%0.387CS..  trans-90.8121.8174.7-68.30000113.3C354 P355 C361 C367C354-C358 HydrophobicContact CB-CB 3.67Å; P355-C358 WeakPolarHBondContact O-CB 3.34Å; P355-C358 PolarHBondContact O-N 3.36Å; C358-C361 HydrophobicContact CB-CB 4.26Å; C358-C367 WeakPolarHBondContact CA-SG 3.23Å; C358-C367 HydrophobicContact CB-CB 4.27Å; C358-C367 WeakPolarHBondContact CB-SG 3.41Å; C358-C367 WeakPolarHBondContact SG-CB 3.37Å; C358-C367 CovalentContact SG-SG 2.02Å; C358-C367 PolarHBondContact SG-SG 3.32Å
359F66.2Low68.3Low182 Ų18272.3 Ų72.380%0.79837%0.37SS*.SBendtrans-82.6-34.6168.5-65.7-75.3000113.5G316G316-F359 PolarHBondContact N-O 2.98Å
360N68.4Low67.6Low124 Ų12479.6 Ų79.666%0.66340%0.404SS*.SBendtrans-138.7123.3175.7-74-42.1000108.4
361C70Confident66.7Low16 Ų1676 Ų7611%0.10839%0.393CS..  trans-135.8166.2175.674.10000110.3Y318 C354 C358Y318-C361 VanDerWaalsContact CB-SG 3.6Å; Y318-C361 WeakPolarHBondContact CD1-SG 3.32Å; C354-C361 WeakPolarHBondContact CA-SG 3.36Å; C354-C361 HydrophobicContact CB-CB 3.96Å; C354-C361 WeakPolarHBondContact CB-SG 3.36Å; C354-C361 WeakPolarHBondContact SG-CB 3.4Å; C354-C361 PolarHBondContact SG-N 3.4Å; C354-C361 VanDerWaalsContact SG-N 3.39Å; C354-C361 CovalentContact SG-SG 2.03Å; C354-C361 PolarHBondContact SG-SG 3.19Å; C358-C361 HydrophobicContact CB-CB 4.26Å
362K68.9Low65.6Low155 Ų15580.8 Ų80.867%0.67442%0.418SS*.SBendtrans-129.35.2179.6-65.1-169.2173.1-165.70113.4N324N324-K362 HydrophobicContact CB-CG 4.44Å
363S66.5Low64.8Low41 Ų4178.8 Ų78.829%0.28741%0.411SS..SBendtrans-169.9159.1-164.542.20000109.6Y318 T365Y318-S363 VanDerWaalsContact CD2-CA 3.46Å; Y318-S363 VanDerWaalsContact CE2-C 3.48Å; S363-T365 PolarHBondContact O-N 3.02Å; S363-T365 PolarHBondContact OG-OG1 3.4Å
364N62.2Low63.9Low109 Ų10981.9 Ų81.958%0.58342%0.421SS*.SBendtrans-69.59.1176.5-156.433.3000114.6Y318Y318-N364 HydrophobicContact CE2-CB 4.1Å; Y318-N364 VanDerWaalsContact CE2-N 3.3Å; Y318-N364 WeakPolarHBondContact OH-CA 3.14Å; Y318-N364 WeakPolarHBondContact OH-CB 3.35Å; Y318-N364 PolarHBondContact OH-OD1 3.25Å
365T61.5Low63.7Low90 Ų9086.7 Ų86.755%0.55245%0.446SS*.SBendtrans-72.4126.5177.449.90000110S363S363-T365 PolarHBondContact O-N 3.02Å; S363-T365 PolarHBondContact OG-OG1 3.4Å
366L60.7Low64.1Low80 Ų8089.4 Ų89.442%0.41946%0.458SS..PPolyproline II helixtrans-46.8141.6170.6-65.2166.3000110.7P355 R368 M580 T582P355-L366 HydrophobicContact CB-CD2 4.35Å; L366-R368 PolarHBondContact O-N 3.29Å; L366-M580 HydrophobicContact CD2-CB 4.46Å; L366-T582 HydrophobicContact CB-CG2 3.8Å; L366-T582 HydrophobicContact CD1-CG2 3.63Å; L366-T582 HydrophobicContact CG-CG2 4.36Å
367C63Low65.1Low31 Ų3186.1 Ų86.121%0.20944%0.44CS..PPolyproline II helixtrans-62.2142.2178.3-92.60000111.1C358 I581 T582C358-C367 WeakPolarHBondContact CA-SG 3.23Å; C358-C367 HydrophobicContact CB-CB 4.27Å; C358-C367 WeakPolarHBondContact CB-SG 3.41Å; C358-C367 WeakPolarHBondContact SG-CB 3.37Å; C358-C367 CovalentContact SG-SG 2.02Å; C358-C367 PolarHBondContact SG-SG 3.32Å; C367-I581 HydrophobicContact CB-CG2 4.5Å; C367-I581 WeakPolarHBondContact O-CG2 3.44Å; C367-T582 PolarHBondContact O-N 3.3Å; C367-T582 PolarHBondContact O-OG1 3.22Å
368R59.7Low66.3Low130 Ų13086.1 Ų86.149%0.49144%0.437SS..BIsolated β-bridgetrans-82.8133.5170.4-67.5178.4169-141.6-17.5108.6L366 Q370 E539 T582 E584L366-R368 PolarHBondContact O-N 3.29Å; R368-Q370 PolarHBondContact O-N 3.3Å; R368-E539 IonicContact CZ-OE1 2.71Å; R368-E539 IonicContact NH2-OE1 3.64Å; R368-E539 PolarHBondContact NH2-OE1 2.87Å; R368-T582 CarbonylContact C-O 3.55Å; R368-T582 VanDerWaalsContact CA-O 3.29Å; R368-T582 WeakPolarHBondContact CA-O 3.4Å; R368-E584 VanDerWaalsContact CZ-CD 3.43Å; R368-E584 IonicContact CZ-OE1 2.66Å; R368-E584 IonicContact CZ-OE2 2.75Å; R368-E584 IonicContact NH1-OE1 3.58Å; R368-E584 PolarHBondContact NH1-OE1 2.88Å; R368-E584 IonicContact NH1-OE2 3.66Å; R368-E584 PolarHBondContact NH1-OE2 3.5Å; R368-E584 VanDerWaalsContact NH2-CD 3.3Å; R368-E584 IonicContact NH2-OE1 3.93Å; R368-E584 PolarHBondContact NH2-OE1 2.91Å
369V60.2Low67.4Low35 Ų3590.7 Ų90.721%0.21246%0.46CS..PPolyproline II helixtrans-59.7133.8176.7-164.10000109L371 I542 I581 T582 F583 H652V369-L371 PolarHBondContact O-N 2.98Å; V369-I542 HydrophobicContact CG2-CD1 4.25Å; V369-I581 HydrophobicContact CB-CG2 4.13Å; V369-I581 HydrophobicContact CG2-CB 3.96Å; V369-I581 HydrophobicContact CG2-CG2 3.42Å; V369-I581 VanDerWaalsContact CG2-CG2 3.42Å; V369-T582 PolarHBondContact N-O 3.39Å; V369-F583 HydrophobicContact CG2-CB 4.35Å; V369-H652 VanDerWaalsContact CG1-NE2 3.32Å; V369-H652 WeakPolarHBondContact CG1-NE2 3.33Å
370Q58.4Low68.5Low176 Ų17682.3 Ų82.382%0.82242%0.423SS*.  trans-75.8113.2168.7-67.1-175.7-9.900108.4R368 D372R368-Q370 PolarHBondContact O-N 3.3Å; Q370-D372 PolarHBondContact O-N 2.91Å
371L59.3Low69.5Low45 Ų4578.1 Ų78.124%0.23640%0.4CS..  trans-70.5125.3176.4-78.175.9000109.8V369 Y373 P653V369-L371 PolarHBondContact O-N 2.98Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 HydrophobicContact CB-CD2 4.37Å; L371-Y373 HydrophobicContact CB-CE2 3.99Å; L371-Y373 WeakPolarHBondContact O-CD2 3.41Å; L371-Y373 PolarHBondContact O-N 3.44Å; L371-P653 HydrophobicContact CD2-CG 4.46Å
372D60.4Low70.6Confident107 Ų10780.3 Ų80.357%0.57242%0.42SS*.  trans-7776.9178-87.7-41.8000111.7Q370 N374Q370-D372 PolarHBondContact O-N 2.91Å; D372-N374 PolarHBondContact O-N 3.12Å
373Y63.6Low71.7Confident87 Ų8777.6 Ų77.634%0.34141%0.408SS..THydrogen-bonded Turntrans-53.6-22.5178.8-73.5-83.7000114.5L371 R377L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 HydrophobicContact CB-CD2 4.37Å; L371-Y373 HydrophobicContact CB-CE2 3.99Å; L371-Y373 WeakPolarHBondContact O-CD2 3.41Å; L371-Y373 PolarHBondContact O-N 3.44Å; Y373-R377 VanDerWaalsContact CE1-NH1 3.33Å
374N60.6Low73Confident144 Ų14475.7 Ų75.777%0.7740%0.395SS*.THydrogen-bonded Turntrans-86.3-17.1-159.2-65.1-27000115.9D372D372-N374 PolarHBondContact O-N 3.12Å
375L70.5Confident74.5Confident118 Ų11873.3 Ų73.362%0.61838%0.384SS*.THydrogen-bonded Turntrans-141.1-61-178.9-16469.6000113.6R377 A378 I379L375-R377 VanDerWaalsContact C-N 3.34Å; L375-R377 PolarHBondContact O-N 2.69Å; L375-A378 PolarHBondContact O-N 2.83Å; L375-I379 HydrophobicContact CD1-CD1 3.86Å; L375-I379 HydrophobicContact CG-CD1 4.15Å; L375-I379 PolarHBondContact O-N 2.87Å
376I77.3Confident76.1Confident74 Ų7475 Ų7538%0.37938%0.384SS..THydrogen-bonded Turntrans-62.8-41.4-172.3-59.8178.5000111.2P380 D654 L658I376-P380 WeakPolarHBondContact O-CD 3.1Å; I376-P380 WeakPolarHBondContact O-CG 3.48Å; I376-D654 HydrophobicContact CG2-CB 4.15Å; I376-L658 HydrophobicContact CG2-CD1 3.91Å; I376-L658 HydrophobicContact CG2-CG 4.48Å
377R82.2Confident77.7Confident15 Ų1571.8 Ų71.86%0.05737%0.369CS..THydrogen-bonded Turntrans-83.8-27.8-179.4-139.3-180178.8-171.5-1.3113.6Y373 L375 M432 Y433 F434 F657Y373-R377 VanDerWaalsContact CE1-NH1 3.33Å; L375-R377 VanDerWaalsContact C-N 3.34Å; L375-R377 PolarHBondContact O-N 2.69Å; R377-M432 PolarHBondContact NH2-O 3.26Å; R377-Y433 HydrophobicContact CB-CD2 4.38Å; R377-Y433 HydrophobicContact CB-CE2 4.23Å; R377-Y433 HydrophobicContact CG-CD2 3.88Å; R377-Y433 HydrophobicContact CG-CE2 4.17Å; R377-Y433 PolarHBondContact NE-O 2.74Å; R377-Y433 PolarHBondContact NH1-O 2.94Å; R377-Y433 VanDerWaalsContact NH1-O 3.14Å; R377-Y433 VanDerWaalsContact NH2-C 3.28Å; R377-Y433 PolarHBondContact NH2-O 3.45Å; R377-Y433 VanDerWaalsContact NH2-O 3.08Å; R377-F434 PolarHBondContact NH2-O 2.69Å; R377-F657 HydrophobicContact CB-CE1 4.4Å; R377-F657 HydrophobicContact CG-CD1 3.91Å; R377-F657 HydrophobicContact CG-CE1 3.68Å; R377-F657 HydrophobicContact CG-CZ 4.1Å
378A85.8Confident79.2Confident35 Ų3571.4 Ų71.429%0.28936%0.364SS..Hα-helixtrans-76.7-41.3-173.900000113.8L375 L381 A382L375-A378 PolarHBondContact O-N 2.83Å; A378-L381 PolarHBondContact O-N 2.96Å; A378-A382 PolarHBondContact O-N 3.38Å
379I89Confident80.9Confident111 Ų11168.6 Ų68.657%0.56936%0.361SS*.Hα-helixtrans-62.7-46.9-178.2-65.1167.3000112L375 L381 A382 F383L375-I379 HydrophobicContact CD1-CD1 3.86Å; L375-I379 HydrophobicContact CG-CD1 4.15Å; L375-I379 PolarHBondContact O-N 2.87Å; I379-L381 VanDerWaalsContact C-N 3.33Å; I379-L381 PolarHBondContact O-N 3.29Å; I379-A382 PolarHBondContact O-N 3.14Å; I379-F383 PolarHBondContact O-N 3.07Å; I379-F383 VanDerWaalsContact O-N 3.13Å
380P90.2Very high82.5Confident5 Ų570.8 Ų70.83%0.03237%0.371CS..Hα-helixtrans-58.8-39.9173.1-27.437.4000113.6I376 F383 Q384 F657 L658 F661I376-P380 WeakPolarHBondContact O-CD 3.1Å; I376-P380 WeakPolarHBondContact O-CG 3.48Å; P380-F383 PolarHBondContact O-N 2.89Å; P380-Q384 VanDerWaalsContact O-CB 3.3Å; P380-Q384 WeakPolarHBondContact O-CB 3.34Å; P380-Q384 PolarHBondContact O-N 3.34Å; P380-F657 HydrophobicContact CB-CE1 3.68Å; P380-F657 HydrophobicContact CB-CZ 3.99Å; P380-F657 HydrophobicContact CG-CE1 3.86Å; P380-L658 HydrophobicContact CG-CD2 3.69Å; P380-F661 HydrophobicContact CB-CB 4.44Å; P380-F661 HydrophobicContact CB-CD1 4.23Å; P380-F661 HydrophobicContact CB-CD2 3.62Å; P380-F661 HydrophobicContact CB-CE1 4.37Å; P380-F661 HydrophobicContact CB-CE2 3.76Å; P380-F661 HydrophobicContact CB-CG 3.85Å; P380-F661 HydrophobicContact CB-CZ 4.15Å; P380-F661 WeakPolarHBondContact O-CE2 3.38Å
381L90.1Very high84.2Confident36 Ų3663 Ų6319%0.18834%0.336CS..Hα-helixtrans-64.4-43.2178.7-177.471.1000112A378 I379 F383 Q384 T385 V430 Y433A378-L381 PolarHBondContact O-N 2.96Å; I379-L381 VanDerWaalsContact C-N 3.33Å; I379-L381 PolarHBondContact O-N 3.29Å; L381-F383 VanDerWaalsContact C-N 3.34Å; L381-F383 PolarHBondContact O-N 3Å; L381-Q384 PolarHBondContact O-N 3.39Å; L381-T385 HydrophobicContact CD1-CG2 4.32Å; L381-T385 HydrophobicContact CG-CG2 4.49Å; L381-T385 WeakPolarHBondContact O-CB 3.49Å; L381-T385 WeakPolarHBondContact O-CG2 3.41Å; L381-T385 PolarHBondContact O-N 3.31Å; L381-T385 PolarHBondContact O-OG1 3.38Å; L381-V430 HydrophobicContact CD1-CB 4.48Å; L381-V430 HydrophobicContact CD1-CG1 4.19Å; L381-V430 HydrophobicContact CD1-CG2 4.28Å; L381-Y433 HydrophobicContact CB-CD2 4.19Å; L381-Y433 HydrophobicContact CD1-CD2 4.48Å; L381-Y433 HydrophobicContact CD1-CG 4.09Å; L381-Y433 HydrophobicContact CD2-CD1 3.81Å; L381-Y433 HydrophobicContact CD2-CD2 3.76Å; L381-Y433 HydrophobicContact CD2-CE1 3.91Å; L381-Y433 HydrophobicContact CD2-CE2 3.86Å; L381-Y433 HydrophobicContact CD2-CG 3.75Å; L381-Y433 HydrophobicContact CG-CD2 4.36Å; L381-Y433 HydrophobicContact CG-CG 4.37Å
382A91.7Very high85.8Confident62 Ų6264.8 Ų64.851%0.51235%0.345SS..Hα-helixtrans-62.5-41.8177.100000111.7A378 I379 T385 F386A378-A382 PolarHBondContact O-N 3.38Å; I379-A382 PolarHBondContact O-N 3.14Å; A382-T385 PolarHBondContact O-OG1 3.17Å; A382-T385 VanDerWaalsContact O-OG1 3.12Å; A382-F386 WeakPolarHBondContact O-CB 3.5Å; A382-F386 PolarHBondContact O-N 3.28Å; A382-F386 VanDerWaalsContact O-N 3.15Å
383F92.8Very high87.4Confident99 Ų9965.4 Ų65.443%0.43435%0.348SS..Hα-helixtrans-67.7-42.3176-168.6-99.3000112.2I379 P380 L381 F386 C387 F661 H665I379-F383 PolarHBondContact O-N 3.07Å; I379-F383 VanDerWaalsContact O-N 3.13Å; P380-F383 PolarHBondContact O-N 2.89Å; L381-F383 VanDerWaalsContact C-N 3.34Å; L381-F383 PolarHBondContact O-N 3Å; F383-F386 WeakPolarHBondContact O-CB 3.48Å; F383-F386 PolarHBondContact O-N 2.9Å; F383-C387 PolarHBondContact O-N 3.12Å; F383-C387 PolarHBondContact O-SG 2.83Å; F383-C387 VanDerWaalsContact O-SG 3.41Å; F383-F661 HydrophobicContact CB-CE2 4.26Å; F383-F661 HydrophobicContact CB-CZ 4.26Å; F383-F661 AromaticContact CD1-CE2 3.92Å; F383-F661 HydrophobicContact CD1-CE2 3.92Å; F383-F661 AromaticContact CD1-CZ 3.79Å; F383-F661 HydrophobicContact CD1-CZ 3.79Å; F383-F661 HydrophobicContact CG-CZ 4.31Å; F383-H665 AromaticContact CD1-CE1 3.62Å; F383-H665 AromaticContact CD1-NE2 3.43Å; F383-H665 WeakPolarHBondContact CD1-NE2 3.37Å; F383-H665 AromaticContact CE1-CE1 3.53Å; F383-H665 AromaticContact CE1-ND1 3.81Å; F383-H665 AromaticContact CE1-NE2 3.67Å
384Q93.8Very high88.7Confident0 Ų063.9 Ų63.90%034%0.343CS..Hα-helixtrans-65.7-44.5180-171.674.9-41.100112.6P380 L381 F386 C387 I388 Y426 I429 V430 S664 H665P380-Q384 VanDerWaalsContact O-CB 3.3Å; P380-Q384 WeakPolarHBondContact O-CB 3.34Å; P380-Q384 PolarHBondContact O-N 3.34Å; L381-Q384 PolarHBondContact O-N 3.39Å; Q384-F386 VanDerWaalsContact C-N 3.33Å; Q384-F386 PolarHBondContact O-N 2.9Å; Q384-C387 PolarHBondContact O-N 2.77Å; Q384-I388 HydrophobicContact CG-CD1 4.32Å; Q384-I388 WeakPolarHBondContact O-CG1 3.06Å; Q384-I388 PolarHBondContact O-N 3.06Å; Q384-Y426 VanDerWaalsContact NE2-CA 3.29Å; Q384-Y426 PolarHBondContact NE2-O 3.2Å; Q384-I429 HydrophobicContact CG-CB 4.27Å; Q384-V430 HydrophobicContact CG-CG2 4.11Å; Q384-S664 PolarHBondContact NE2-OG 2.9Å; Q384-H665 PolarHBondContact OE1-CE1 3.03Å; Q384-H665 PolarHBondContact OE1-NE2 2.8Å
385T93.4Very high90.1Very high60 Ų6057.9 Ų57.937%0.36832%0.315SS..Hα-helixtrans-64.3-38.2176.450.10000111.5L381 A382 I388 T389L381-T385 HydrophobicContact CD1-CG2 4.32Å; L381-T385 HydrophobicContact CG-CG2 4.49Å; L381-T385 WeakPolarHBondContact O-CB 3.49Å; L381-T385 WeakPolarHBondContact O-CG2 3.41Å; L381-T385 PolarHBondContact O-N 3.31Å; L381-T385 PolarHBondContact O-OG1 3.38Å; A382-T385 PolarHBondContact O-OG1 3.17Å; A382-T385 VanDerWaalsContact O-OG1 3.12Å; T385-I388 PolarHBondContact O-N 3.25Å; T385-T389 WeakPolarHBondContact O-CG2 3.44Å; T385-T389 PolarHBondContact O-N 3.3Å; T385-T389 PolarHBondContact O-OG1 3.17Å
386F94.5Very high90.9Very high124 Ų12456.6 Ų56.654%0.54431%0.308SS..Hα-helixtrans-60-47.3170.1-179.3-112.6000112.2A382 F383 Q384 I388 T389 I390A382-F386 WeakPolarHBondContact O-CB 3.5Å; A382-F386 PolarHBondContact O-N 3.28Å; A382-F386 VanDerWaalsContact O-N 3.15Å; F383-F386 WeakPolarHBondContact O-CB 3.48Å; F383-F386 PolarHBondContact O-N 2.9Å; Q384-F386 VanDerWaalsContact C-N 3.33Å; Q384-F386 PolarHBondContact O-N 2.9Å; F386-I388 VanDerWaalsContact C-N 3.34Å; F386-I388 PolarHBondContact O-N 3.47Å; F386-T389 PolarHBondContact O-N 3.02Å; F386-T389 PolarHBondContact O-OG1 3.05Å; F386-I390 HydrophobicContact CD1-CD1 3.94Å; F386-I390 HydrophobicContact CE1-CD1 3.52Å; F386-I390 HydrophobicContact CE2-CD1 4.15Å; F386-I390 HydrophobicContact CG-CD1 4.43Å; F386-I390 HydrophobicContact CZ-CD1 3.65Å; F386-I390 PolarHBondContact O-N 3.41Å
387C94.6Very high91.4Very high14 Ų1454.9 Ų54.910%0.09531%0.305CS..Hα-helixtrans-59.3-39.9174.6-71.10000113.3F383 Q384 I390 C391 Y426F383-C387 PolarHBondContact O-N 3.12Å; F383-C387 PolarHBondContact O-SG 2.83Å; F383-C387 VanDerWaalsContact O-SG 3.41Å; Q384-C387 PolarHBondContact O-N 2.77Å; C387-I390 PolarHBondContact O-N 2.67Å; C387-C391 PolarHBondContact O-N 3.35Å; C387-C391 PolarHBondContact O-SG 3.46Å; C387-Y426 HydrophobicContact CB-CE2 4.44Å
388I95.2Very high91.5Very high23 Ų2355.3 Ų55.312%0.11831%0.308CS..Hα-helixtrans-62.6-46.7175.6-69.7165.2000110.9Q384 T385 F386 I390 C391 L392 I423 Y426 V430Q384-I388 HydrophobicContact CG-CD1 4.32Å; Q384-I388 WeakPolarHBondContact O-CG1 3.06Å; Q384-I388 PolarHBondContact O-N 3.06Å; T385-I388 PolarHBondContact O-N 3.25Å; F386-I388 VanDerWaalsContact C-N 3.34Å; F386-I388 PolarHBondContact O-N 3.47Å; I388-I390 PolarHBondContact O-N 3.14Å; I388-C391 PolarHBondContact O-N 3.2Å; I388-C391 VanDerWaalsContact O-N 3.16Å; I388-L392 HydrophobicContact CG2-CD1 3.94Å; I388-L392 HydrophobicContact CG2-CG 4.47Å; I388-L392 WeakPolarHBondContact O-CG 3.26Å; I388-L392 PolarHBondContact O-N 2.9Å; I388-I423 HydrophobicContact CG2-CG2 4.28Å; I388-Y426 HydrophobicContact CG1-CD2 4.26Å; I388-Y426 HydrophobicContact CG1-CG 4.24Å; I388-V430 HydrophobicContact CD1-CG2 3.93Å
389T95.2Very high91.4Very high70 Ų7059.2 Ų59.243%0.42932%0.318SS..Hα-helixtrans-63.4-38.3178.959.20000112.7T385 F386 L392 L393T385-T389 WeakPolarHBondContact O-CG2 3.44Å; T385-T389 PolarHBondContact O-N 3.3Å; T385-T389 PolarHBondContact O-OG1 3.17Å; F386-T389 PolarHBondContact O-N 3.02Å; F386-T389 PolarHBondContact O-OG1 3.05Å; T389-L392 PolarHBondContact O-N 3.05Å; T389-L393 WeakPolarHBondContact O-CB 3.4Å; T389-L393 VanDerWaalsContact O-CG 3.31Å; T389-L393 WeakPolarHBondContact O-CG 3.06Å; T389-L393 PolarHBondContact O-N 2.94Å
390I94Very high91.1Very high82 Ų8261.1 Ų61.142%0.42132%0.323SS..Hα-helixtrans-60.6-45.2172.3-70.9171.8000111F386 C387 I388 L392 L393 F394F386-I390 HydrophobicContact CD1-CD1 3.94Å; F386-I390 HydrophobicContact CE1-CD1 3.52Å; F386-I390 HydrophobicContact CE2-CD1 4.15Å; F386-I390 HydrophobicContact CG-CD1 4.43Å; F386-I390 HydrophobicContact CZ-CD1 3.65Å; F386-I390 PolarHBondContact O-N 3.41Å; C387-I390 PolarHBondContact O-N 2.67Å; I388-I390 PolarHBondContact O-N 3.14Å; I390-L392 PolarHBondContact O-N 3.29Å; I390-L393 PolarHBondContact O-N 3.2Å; I390-F394 VanDerWaalsContact O-CB 3.27Å; I390-F394 WeakPolarHBondContact O-CB 3.46Å; I390-F394 PolarHBondContact O-N 3.2Å
391C93.8Very high90.5Very high11 Ų1164.4 Ų64.47%0.07434%0.34CS..Hα-helixtrans-65.2-38.5179.5-66.30000112.4C387 I388 G395 I423C387-C391 PolarHBondContact O-N 3.35Å; C387-C391 PolarHBondContact O-SG 3.46Å; I388-C391 PolarHBondContact O-N 3.2Å; I388-C391 VanDerWaalsContact O-N 3.16Å; C391-G395 PolarHBondContact O-N 3.44Å; C391-I423 HydrophobicContact CB-CD1 4.23Å; C391-I423 HydrophobicContact CB-CG1 3.87Å
392L93.8Very high89.9Confident83 Ų8368.4 Ų68.444%0.43535%0.352SS..Hα-helixtrans-63.8-50173.3-75166.9000111.9I388 T389 I390 F394 G395 I396 I423I388-L392 HydrophobicContact CG2-CD1 3.94Å; I388-L392 HydrophobicContact CG2-CG 4.47Å; I388-L392 WeakPolarHBondContact O-CG 3.26Å; I388-L392 PolarHBondContact O-N 2.9Å; T389-L392 PolarHBondContact O-N 3.05Å; I390-L392 PolarHBondContact O-N 3.29Å; L392-F394 VanDerWaalsContact C-N 3.31Å; L392-F394 PolarHBondContact O-N 3.34Å; L392-G395 PolarHBondContact O-N 3.47Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 3.42Å; L392-I423 HydrophobicContact CD2-CD1 3.68Å; L392-I423 HydrophobicContact CG-CD1 3.9Å
393L93.3Very high88.6Confident120 Ų12075.9 Ų75.963%0.62837%0.367SS*.Hα-helixtrans-60.6-40.7178.3-72.1172.2000111.8T389 I390 I396 A397T389-L393 WeakPolarHBondContact O-CB 3.4Å; T389-L393 VanDerWaalsContact O-CG 3.31Å; T389-L393 WeakPolarHBondContact O-CG 3.06Å; T389-L393 PolarHBondContact O-N 2.94Å; I390-L393 PolarHBondContact O-N 3.2Å; L393-I396 PolarHBondContact O-N 2.83Å; L393-A397 WeakPolarHBondContact O-CB 3.49Å; L393-A397 PolarHBondContact O-N 2.04Å
394F90.4Very high87.4Confident56 Ų5673.3 Ų73.325%0.24636%0.364CS..Hα-helixtrans-69.1-38.6176.4-176.5-121.5000112.4I390 L392 A397 M398 L419 F676 V680I390-F394 VanDerWaalsContact O-CB 3.27Å; I390-F394 WeakPolarHBondContact O-CB 3.46Å; I390-F394 PolarHBondContact O-N 3.2Å; L392-F394 VanDerWaalsContact C-N 3.31Å; L392-F394 PolarHBondContact O-N 3.34Å; F394-A397 WeakPolarHBondContact O-CB 3.4Å; F394-A397 PolarHBondContact O-N 2.82Å; F394-M398 HydrophobicContact CD2-CE 4.44Å; F394-M398 HydrophobicContact CE2-CE 3.83Å; F394-M398 HydrophobicContact CE2-CG 4.49Å; F394-M398 HydrophobicContact CE2-SD 4.46Å; F394-M398 HydrophobicContact CZ-CE 4.29Å; F394-M398 HydrophobicContact CZ-CG 4.38Å; F394-M398 HydrophobicContact CZ-SD 4.36Å; F394-M398 WeakPolarHBondContact O-CG 3.27Å; F394-M398 PolarHBondContact O-N 2.87Å; F394-L419 HydrophobicContact CD1-CD1 3.72Å; F394-L419 HydrophobicContact CD1-CD2 3.94Å; F394-L419 HydrophobicContact CE1-CD1 4.11Å; F394-L419 HydrophobicContact CE1-CD2 4.38Å; F394-F676 AromaticContact CE1-CD1 3.53Å; F394-F676 HydrophobicContact CE1-CD1 3.53Å; F394-F676 AromaticContact CE1-CD2 3.98Å; F394-F676 HydrophobicContact CE1-CD2 3.98Å; F394-F676 AromaticContact CE1-CE1 3.47Å; F394-F676 HydrophobicContact CE1-CE1 3.47Å; F394-F676 VanDerWaalsContact CE1-CE1 3.47Å; F394-F676 AromaticContact CE1-CE2 3.93Å; F394-F676 HydrophobicContact CE1-CE2 3.93Å; F394-F676 AromaticContact CE1-CG 3.78Å; F394-F676 HydrophobicContact CE1-CG 3.78Å; F394-F676 AromaticContact CE1-CZ 3.68Å; F394-F676 HydrophobicContact CE1-CZ 3.68Å; F394-F676 AromaticContact CZ-CD1 3.59Å; F394-F676 HydrophobicContact CZ-CD1 3.59Å; F394-F676 AromaticContact CZ-CE1 3.81Å; F394-F676 HydrophobicContact CZ-CE1 3.81Å; F394-F676 HydrophobicContact CZ-CG 4.06Å; F394-F676 HydrophobicContact CZ-CZ 4.47Å; F394-V680 HydrophobicContact CZ-CG2 4.39Å
395G89.5Confident85.4Confident18 Ų1883.5 Ų83.519%0.18640%0.403CS..Hα-helixtrans-61.6-44.6171.500000112.7C391 L392 A397 M398 F399C391-G395 PolarHBondContact O-N 3.44Å; L392-G395 PolarHBondContact O-N 3.47Å; G395-A397 VanDerWaalsContact C-N 3.31Å; G395-A397 PolarHBondContact O-N 2.85Å; G395-M398 PolarHBondContact O-N 3.25Å; G395-F399 WeakPolarHBondContact O-CB 3.41Å; G395-F399 PolarHBondContact O-N 3.36Å
396I89.3Confident83.6Confident90 Ų9086.8 Ų86.846%0.46242%0.422SS..Hα-helixtrans-62.6-38.4174.3-67.5162.8000111L392 L393 F399 K400L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 3.42Å; L393-I396 PolarHBondContact O-N 2.83Å; I396-F399 PolarHBondContact O-N 3.15Å; I396-K400 WeakPolarHBondContact O-CG 3.4Å; I396-K400 PolarHBondContact O-N 3.46Å
397A86.4Confident81.9Confident38 Ų3882 Ų8231%0.31440%0.403SS..Hα-helixtrans-63.7-47.2174.100000111.5L393 F394 G395 F399 K400 L401L393-A397 WeakPolarHBondContact O-CB 3.49Å; L393-A397 PolarHBondContact O-N 2.04Å; F394-A397 WeakPolarHBondContact O-CB 3.4Å; F394-A397 PolarHBondContact O-N 2.82Å; G395-A397 VanDerWaalsContact C-N 3.31Å; G395-A397 PolarHBondContact O-N 2.85Å; A397-F399 VanDerWaalsContact C-N 3.35Å; A397-F399 PolarHBondContact O-N 2.92Å; A397-K400 PolarHBondContact O-N 3.47Å; A397-L401 WeakPolarHBondContact O-CB 3.4Å; A397-L401 WeakPolarHBondContact O-CD1 3.45Å; A397-L401 PolarHBondContact O-N 3.45Å
398M84Confident80Confident25 Ų2589.5 Ų89.512%0.12343%0.433CS..Hα-helixtrans-58.7-44.1174.6-68.8-61.597.700111.9F394 G395 K400 L401 R402 L412 E416F394-M398 HydrophobicContact CD2-CE 4.44Å; F394-M398 HydrophobicContact CE2-CE 3.83Å; F394-M398 HydrophobicContact CE2-CG 4.49Å; F394-M398 HydrophobicContact CE2-SD 4.46Å; F394-M398 HydrophobicContact CZ-CE 4.29Å; F394-M398 HydrophobicContact CZ-CG 4.38Å; F394-M398 HydrophobicContact CZ-SD 4.36Å; F394-M398 WeakPolarHBondContact O-CG 3.27Å; F394-M398 PolarHBondContact O-N 2.87Å; G395-M398 PolarHBondContact O-N 3.25Å; M398-K400 VanDerWaalsContact C-N 3.35Å; M398-K400 PolarHBondContact O-N 3.44Å; M398-L401 HydrophobicContact CE-CD2 3.95Å; M398-L401 CarbonylContact O-C 3.42Å; M398-L401 PolarHBondContact O-N 3.3Å; M398-L401 VanDerWaalsContact O-N 3.16Å; M398-R402 WeakPolarHBondContact O-CB 3.46Å; M398-R402 PolarHBondContact O-N 3.17Å; M398-L412 HydrophobicContact SD-CD2 4.2Å; M398-E416 HydrophobicContact CB-CG 4.47Å
399F84.4Confident78.1Confident116 Ų11693.4 Ų93.451%0.50946%0.462SS..Hα-helixtrans-64.5-34.6178-175.2-101.5000113.4G395 I396 A397 R402 E416G395-F399 WeakPolarHBondContact O-CB 3.41Å; G395-F399 PolarHBondContact O-N 3.36Å; I396-F399 PolarHBondContact O-N 3.15Å; A397-F399 VanDerWaalsContact C-N 3.35Å; A397-F399 PolarHBondContact O-N 2.92Å; F399-R402 WeakPolarHBondContact O-CB 3.44Å; F399-E416 WeakPolarHBondContact CA-OE1 3.08Å
400K83.4Confident76.5Confident152 Ų15292.1 Ų92.166%0.66146%0.459SS*.Hα-helixtrans-69.5-44.9170.1-74.1180178.3-179.90111.4I396 A397 M398 R402 R403I396-K400 WeakPolarHBondContact O-CG 3.4Å; I396-K400 PolarHBondContact O-N 3.46Å; A397-K400 PolarHBondContact O-N 3.47Å; M398-K400 VanDerWaalsContact C-N 3.35Å; M398-K400 PolarHBondContact O-N 3.44Å; K400-R402 VanDerWaalsContact C-N 3.26Å; K400-R402 PolarHBondContact O-N 3.22Å; K400-R403 PolarHBondContact O-N 3.24Å
401L76.6Confident75.6Confident74 Ų7489.9 Ų89.939%0.38745%0.448SS..Hα-helixtrans-65.7-24.5179-95.862.3000113.2A397 M398 R403 A404 I407A397-L401 WeakPolarHBondContact O-CB 3.4Å; A397-L401 WeakPolarHBondContact O-CD1 3.45Å; A397-L401 PolarHBondContact O-N 3.45Å; M398-L401 HydrophobicContact CE-CD2 3.95Å; M398-L401 CarbonylContact O-C 3.42Å; M398-L401 PolarHBondContact O-N 3.3Å; M398-L401 VanDerWaalsContact O-N 3.16Å; L401-R403 PolarHBondContact O-N 2.96Å; L401-A404 WeakPolarHBondContact O-CB 3.44Å; L401-A404 PolarHBondContact O-N 3.45Å; L401-I407 HydrophobicContact CB-CD1 4.14Å; L401-I407 HydrophobicContact CD2-CD1 3.85Å; L401-I407 HydrophobicContact CG-CD1 4.13Å
402R77.1Confident75Confident120 Ų12090.3 Ų90.345%0.45345%0.449SS..THydrogen-bonded Turntrans-56.8-18.3173.5-178.7172.6165.2-172.4-5.7114.1M398 F399 K400 L412 E416M398-R402 WeakPolarHBondContact O-CB 3.46Å; M398-R402 PolarHBondContact O-N 3.17Å; F399-R402 WeakPolarHBondContact O-CB 3.44Å; K400-R402 VanDerWaalsContact C-N 3.26Å; K400-R402 PolarHBondContact O-N 3.22Å; R402-L412 HydrophobicContact CB-CD1 4.06Å; R402-L412 HydrophobicContact CG-CD1 4.48Å; R402-E416 WeakPolarHBondContact CD-OE1 3.41Å; R402-E416 IonicContact CZ-OE2 2.88Å; R402-E416 IonicContact NH1-OE1 3.21Å; R402-E416 IonicContact NH1-OE2 3.65Å; R402-E416 PolarHBondContact NH1-OE2 3.03Å
403R66.1Low74.6Confident218 Ų21888.4 Ų88.482%0.82344%0.441SS*.THydrogen-bonded Turntrans-84.6-16.7172.3-61.9-173.2-178.6-168.3-0.1113.9K400 L401K400-R403 PolarHBondContact O-N 3.24Å; L401-R403 PolarHBondContact O-N 2.96Å
404A67Low74.4Confident46 Ų4683 Ų8338%0.3841%0.413SS..SBendtrans-79.5127.5179.300000111.2L401 V406 I407L401-A404 WeakPolarHBondContact O-CB 3.44Å; L401-A404 PolarHBondContact O-N 3.45Å; A404-V406 PolarHBondContact O-N 3.16Å; A404-I407 PolarHBondContact O-N 3.26Å
405R52.2Low74.3Confident214 Ų21480.9 Ų80.981%0.80840%0.404SS*.G310 helixtrans-59.1-32.1-176.4-63-177.2-176179.72.1113.4I407 K408R405-I407 PolarHBondContact O-N 2.9Å; R405-I407 VanDerWaalsContact O-N 3.14Å; R405-K408 WeakPolarHBondContact O-CB 3.13Å; R405-K408 WeakPolarHBondContact O-CG 3.27Å; R405-K408 PolarHBondContact O-N 3.26Å
406V55.1Low74.3Confident128 Ų12881.2 Ų81.278%0.77640%0.401SS*.G310 helixtrans-63.8-17-171.9-169.30000113.8A404A404-V406 PolarHBondContact O-N 3.16Å
407I58.3Low74.5Confident25 Ų2578.9 Ų78.913%0.12839%0.388CS..G310 helixtrans-111.112.1-175.5-41.3-178.7000111.5L401 A404 R405 S409 A410 L412L401-I407 HydrophobicContact CB-CD1 4.14Å; L401-I407 HydrophobicContact CD2-CD1 3.85Å; L401-I407 HydrophobicContact CG-CD1 4.13Å; A404-I407 PolarHBondContact O-N 3.26Å; R405-I407 PolarHBondContact O-N 2.9Å; R405-I407 VanDerWaalsContact O-N 3.14Å; I407-S409 PolarHBondContact O-N 2.81Å; I407-S409 VanDerWaalsContact O-N 3.16Å; I407-A410 HydrophobicContact CG2-CB 4.37Å; I407-A410 PolarHBondContact O-N 2.92Å; I407-L412 HydrophobicContact CB-CD1 4.27Å; I407-L412 HydrophobicContact CG2-CD1 3.98Å; I407-L412 HydrophobicContact CG2-CD2 4.1Å; I407-L412 HydrophobicContact CG2-CG 4.28Å
408K54.8Low74.8Confident171 Ų17177.1 Ų77.174%0.74337%0.374SS*.THydrogen-bonded Turntrans-62.9-19-178-84.3-175.5170.7-168.50115.5R405 A410R405-K408 WeakPolarHBondContact O-CB 3.13Å; R405-K408 WeakPolarHBondContact O-CG 3.27Å; R405-K408 PolarHBondContact O-N 3.26Å; K408-A410 VanDerWaalsContact C-N 3.34Å
409S54.6Low75.3Confident104 Ų10476.1 Ų76.173%0.72737%0.369SS*.THydrogen-bonded Turntrans-69.8-30.1176.950.70000112.8I407I407-S409 PolarHBondContact O-N 2.81Å; I407-S409 VanDerWaalsContact O-N 3.16Å
410A63.1Low75.8Confident43 Ų4374.4 Ų74.436%0.35537%0.368SS..SBendtrans-85.8132.6176.400000111.1I407 K408 L412I407-A410 HydrophobicContact CG2-CB 4.37Å; I407-A410 PolarHBondContact O-N 2.92Å; K408-A410 VanDerWaalsContact C-N 3.34Å; A410-L412 HydrophobicContact CB-CG 4.5Å; A410-L412 PolarHBondContact O-N 3.33Å
411N75.3Confident76.4Confident36 Ų3667.2 Ų67.219%0.19334%0.337CS..  trans-73.182.6166.4-175.4-24.5000109.2V413 L414 D482N411-V413 PolarHBondContact O-N 2.65Å; N411-V413 WeakPolarHBondContact OD1-CB 3.39Å; N411-V413 PolarHBondContact OD1-N 3.43Å; N411-L414 HydrophobicContact CB-CD1 4.23Å; N411-L414 PolarHBondContact O-N 3.17Å; N411-L414 PolarHBondContact OD1-N 3.01Å; N411-L414 VanDerWaalsContact OD1-N 3.12Å; N411-D482 PolarHBondContact ND2-OD1 3.37Å
412L80.5Confident77.4Confident19 Ų1963.7 Ų63.710%0.09932%0.318CS..Hα-helixtrans-61.3-29.2179.2-72.4172.6000112.5M398 R402 I407 A410 L414 M415 E416M398-L412 HydrophobicContact SD-CD2 4.2Å; R402-L412 HydrophobicContact CB-CD1 4.06Å; R402-L412 HydrophobicContact CG-CD1 4.48Å; I407-L412 HydrophobicContact CB-CD1 4.27Å; I407-L412 HydrophobicContact CG2-CD1 3.98Å; I407-L412 HydrophobicContact CG2-CD2 4.1Å; I407-L412 HydrophobicContact CG2-CG 4.28Å; A410-L412 HydrophobicContact CB-CG 4.5Å; A410-L412 PolarHBondContact O-N 3.33Å; L412-L414 VanDerWaalsContact C-N 3.31Å; L412-L414 PolarHBondContact O-N 3.38Å; L412-M415 CarbonylContact O-C 3.51Å; L412-M415 WeakPolarHBondContact O-CA 3.34Å; L412-M415 WeakPolarHBondContact O-CB 3.47Å; L412-M415 PolarHBondContact O-N 2.89Å; L412-E416 WeakPolarHBondContact O-CG 3.31Å; L412-E416 PolarHBondContact O-N 3.19Å
413V86Confident78.3Confident44 Ų4459.4 Ų59.427%0.26730%0.304SS..Hα-helixtrans-61.5-40.8179.1-171.70000111N411 M415 E416 I417N411-V413 PolarHBondContact O-N 2.65Å; N411-V413 WeakPolarHBondContact OD1-CB 3.39Å; N411-V413 PolarHBondContact OD1-N 3.43Å; V413-M415 VanDerWaalsContact C-N 3.29Å; V413-M415 PolarHBondContact O-N 2.96Å; V413-E416 PolarHBondContact O-N 3Å; V413-I417 HydrophobicContact CG1-CD1 4.03Å; V413-I417 VanDerWaalsContact O-CG1 3.28Å; V413-I417 WeakPolarHBondContact O-CG1 3.49Å; V413-I417 PolarHBondContact O-N 2.83Å
414L88.7Confident79.7Confident6 Ų650.9 Ų50.93%0.03127%0.274CS..Hα-helixtrans-64.9-32.5172.5-69175.4000112.2N411 L412 M418 V458 K462 I485 L489N411-L414 HydrophobicContact CB-CD1 4.23Å; N411-L414 PolarHBondContact O-N 3.17Å; N411-L414 PolarHBondContact OD1-N 3.01Å; N411-L414 VanDerWaalsContact OD1-N 3.12Å; L412-L414 VanDerWaalsContact C-N 3.31Å; L412-L414 PolarHBondContact O-N 3.38Å; L414-M418 VanDerWaalsContact O-CB 3.32Å; L414-M418 WeakPolarHBondContact O-CB 3.44Å; L414-M418 PolarHBondContact O-N 3.36Å; L414-M418 VanDerWaalsContact O-N 3.09Å; L414-V458 HydrophobicContact CB-CG1 4.09Å; L414-V458 HydrophobicContact CD2-CG1 4.49Å; L414-V458 HydrophobicContact CD2-CG2 4.38Å; L414-V458 WeakPolarHBondContact O-CG1 3.35Å; L414-K462 HydrophobicContact CD1-CG 4.2Å; L414-I485 HydrophobicContact CD1-CG2 4.28Å; L414-L489 HydrophobicContact CD2-CD2 3.77Å
415M87.8Confident81.1Confident11 Ų1149.5 Ų49.55%0.05426%0.261CS..Hα-helixtrans-73.8-37.1176.7-50.3-59.8-64.600111.9L412 V413 M418 L419 K462 I675 F676 K679L412-M415 CarbonylContact O-C 3.51Å; L412-M415 WeakPolarHBondContact O-CA 3.34Å; L412-M415 WeakPolarHBondContact O-CB 3.47Å; L412-M415 PolarHBondContact O-N 2.89Å; V413-M415 VanDerWaalsContact C-N 3.29Å; V413-M415 PolarHBondContact O-N 2.96Å; M415-M418 HydrophobicContact CE-CE 4Å; M415-M418 PolarHBondContact O-N 3.3Å; M415-L419 WeakPolarHBondContact O-CG 3.43Å; M415-L419 PolarHBondContact O-N 3.1Å; M415-K462 PolarHBondContact SD-NZ 3.22Å; M415-I675 HydrophobicContact CE-CG2 3.97Å; M415-F676 HydrophobicContact CB-CE1 4.16Å; M415-F676 HydrophobicContact CB-CZ 4.25Å; M415-F676 HydrophobicContact CE-CD1 3.71Å; M415-F676 HydrophobicContact CE-CE1 3.25Å; M415-F676 HydrophobicContact CE-CE2 4.36Å; M415-F676 HydrophobicContact CE-CG 4.45Å; M415-F676 HydrophobicContact CE-CZ 3.62Å; M415-K679 HydrophobicContact CE-CD 4.2Å
416E90Very high83.2Confident26 Ų2639.4 Ų39.412%0.12122%0.223CC..Hα-helixtrans-61.5-49.8172.9-70.8167.3172.900110.7M398 F399 R402 L412 V413 M418 L419 V420M398-E416 HydrophobicContact CB-CG 4.47Å; F399-E416 WeakPolarHBondContact CA-OE1 3.08Å; R402-E416 WeakPolarHBondContact CD-OE1 3.41Å; R402-E416 IonicContact CZ-OE2 2.88Å; R402-E416 IonicContact NH1-OE1 3.21Å; R402-E416 IonicContact NH1-OE2 3.65Å; R402-E416 PolarHBondContact NH1-OE2 3.03Å; L412-E416 WeakPolarHBondContact O-CG 3.31Å; L412-E416 PolarHBondContact O-N 3.19Å; V413-E416 PolarHBondContact O-N 3Å; E416-M418 VanDerWaalsContact C-N 3.34Å; E416-M418 PolarHBondContact O-N 3.15Å; E416-L419 PolarHBondContact O-N 3.25Å; E416-V420 PolarHBondContact O-N 3.47Å
417I92.8Very high85Confident40 Ų4034.6 Ų34.621%0.20520%0.195CC..Hα-helixtrans-62.2-40.4178-64.8164.7000111.4V413 L419 V420 G421 V454 V458 L486 L489V413-I417 HydrophobicContact CG1-CD1 4.03Å; V413-I417 VanDerWaalsContact O-CG1 3.28Å; V413-I417 WeakPolarHBondContact O-CG1 3.49Å; V413-I417 PolarHBondContact O-N 2.83Å; I417-L419 VanDerWaalsContact C-N 3.27Å; I417-L419 PolarHBondContact O-N 3.49Å; I417-V420 WeakPolarHBondContact O-CB 3.41Å; I417-V420 PolarHBondContact O-N 2.88Å; I417-V420 VanDerWaalsContact O-N 3.11Å; I417-G421 PolarHBondContact O-N 3.47Å; I417-V454 HydrophobicContact CG2-CG1 3.63Å; I417-V454 VanDerWaalsContact O-CG1 3.26Å; I417-V454 WeakPolarHBondContact O-CG1 3.41Å; I417-V458 HydrophobicContact CB-CG2 4.13Å; I417-V458 HydrophobicContact CG2-CG2 3.78Å; I417-L486 HydrophobicContact CD1-CD1 3.8Å; I417-L489 HydrophobicContact CD1-CD2 4.12Å; I417-L489 HydrophobicContact CG2-CD2 4.16Å
418M93.8Very high86.7Confident1 Ų134.1 Ų34.11%0.00519%0.193CC..Hα-helixtrans-61-34.5177.4-162-179.47900112.8L414 M415 E416 A422 M455 V458 L459 K462 L672 I675 F676L414-M418 VanDerWaalsContact O-CB 3.32Å; L414-M418 WeakPolarHBondContact O-CB 3.44Å; L414-M418 PolarHBondContact O-N 3.36Å; L414-M418 VanDerWaalsContact O-N 3.09Å; M415-M418 HydrophobicContact CE-CE 4Å; M415-M418 PolarHBondContact O-N 3.3Å; E416-M418 VanDerWaalsContact C-N 3.34Å; E416-M418 PolarHBondContact O-N 3.15Å; M418-A422 PolarHBondContact O-N 3.39Å; M418-A422 VanDerWaalsContact O-N 3.07Å; M418-M455 HydrophobicContact CG-CG 4.41Å; M418-V458 HydrophobicContact CB-CB 4.35Å; M418-V458 HydrophobicContact CB-CG1 4.05Å; M418-V458 HydrophobicContact CB-CG2 4.45Å; M418-V458 HydrophobicContact CG-CB 4.46Å; M418-V458 HydrophobicContact CG-CG1 4.22Å; M418-V458 HydrophobicContact SD-CG1 4.27Å; M418-L459 HydrophobicContact SD-CD2 3.67Å; M418-K462 PolarHBondContact SD-NZ 3.41Å; M418-L672 HydrophobicContact CE-CD2 4.29Å; M418-I675 HydrophobicContact CE-CB 4.4Å; M418-I675 HydrophobicContact CE-CG2 3.79Å; M418-I675 HydrophobicContact SD-CD1 4.27Å; M418-I675 HydrophobicContact SD-CG2 4.19Å; M418-F676 HydrophobicContact CE-CD2 3.95Å; M418-F676 HydrophobicContact CE-CE2 3.2Å; M418-F676 HydrophobicContact CE-CZ 3.59Å
419L94.2Very high88.6Confident4 Ų426 Ų262%0.02116%0.158CC..Hα-helixtrans-71.8-35.1174.8-71.8167.6000112.1F394 M415 E416 I417 A422 I423 L672 F676F394-L419 HydrophobicContact CD1-CD1 3.72Å; F394-L419 HydrophobicContact CD1-CD2 3.94Å; F394-L419 HydrophobicContact CE1-CD1 4.11Å; F394-L419 HydrophobicContact CE1-CD2 4.38Å; M415-L419 WeakPolarHBondContact O-CG 3.43Å; M415-L419 PolarHBondContact O-N 3.1Å; E416-L419 PolarHBondContact O-N 3.25Å; I417-L419 VanDerWaalsContact C-N 3.27Å; I417-L419 PolarHBondContact O-N 3.49Å; L419-A422 PolarHBondContact O-N 3.31Å; L419-I423 WeakPolarHBondContact O-CD1 3.3Å; L419-I423 VanDerWaalsContact O-CG1 3.27Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å; L419-I423 PolarHBondContact O-N 3.07Å; L419-L672 HydrophobicContact CD2-CD2 3.98Å; L419-F676 HydrophobicContact CD1-CZ 3.98Å; L419-F676 HydrophobicContact CD2-CE2 3.75Å; L419-F676 HydrophobicContact CD2-CZ 4.01Å; L419-F676 HydrophobicContact CG-CE2 4.11Å; L419-F676 HydrophobicContact CG-CZ 3.88Å
420V95.1Very high90.4Very high81 Ų8122.8 Ų22.849%0.49113%0.133SC..Hα-helixtrans-62.1-44.6172.11770000110.7E416 I417 A422 I423 L424E416-V420 PolarHBondContact O-N 3.47Å; I417-V420 WeakPolarHBondContact O-CB 3.41Å; I417-V420 PolarHBondContact O-N 2.88Å; I417-V420 VanDerWaalsContact O-N 3.11Å; V420-A422 PolarHBondContact O-N 2.93Å; V420-I423 PolarHBondContact O-N 3.44Å; V420-L424 HydrophobicContact CG1-CD1 4.49Å; V420-L424 WeakPolarHBondContact O-CG 3.43Å; V420-L424 PolarHBondContact O-N 3.42Å
421G96Very high91.8Very high0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-60.4-43.217500000112.9I417 I423 L424 L425I417-G421 PolarHBondContact O-N 3.47Å; G421-I423 PolarHBondContact O-N 3.34Å; G421-L424 PolarHBondContact O-N 3.49Å; G421-L425 WeakPolarHBondContact O-CG 3.49Å; G421-L425 PolarHBondContact O-N 3.38Å
422A96.1Very high92.4Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-63.3-37.7175.300000113.1M418 L419 V420 L425 Y426 M455 V668 L672M418-A422 PolarHBondContact O-N 3.39Å; M418-A422 VanDerWaalsContact O-N 3.07Å; L419-A422 PolarHBondContact O-N 3.31Å; V420-A422 PolarHBondContact O-N 2.93Å; A422-L425 PolarHBondContact O-N 2.84Å; A422-Y426 WeakPolarHBondContact O-CD2 3.28Å; A422-Y426 PolarHBondContact O-N 2.88Å; A422-M455 HydrophobicContact CB-SD 4.06Å; A422-V668 HydrophobicContact CB-CG1 3.69Å; A422-L672 HydrophobicContact CB-CD1 4.04Å; A422-L672 HydrophobicContact CB-CD2 4.11Å; A422-L672 HydrophobicContact CB-CG 4.41Å
423I96.3Very high92.8Very high30 Ų3023.1 Ų23.115%0.15413%0.126CC..Hα-helixtrans-64.5-45.4175.2-70.9159.6000110.7I388 C391 L392 L419 V420 G421 L425 Y426 S427I388-I423 HydrophobicContact CG2-CG2 4.28Å; C391-I423 HydrophobicContact CB-CD1 4.23Å; C391-I423 HydrophobicContact CB-CG1 3.87Å; L392-I423 HydrophobicContact CD2-CD1 3.68Å; L392-I423 HydrophobicContact CG-CD1 3.9Å; L419-I423 WeakPolarHBondContact O-CD1 3.3Å; L419-I423 VanDerWaalsContact O-CG1 3.27Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å; L419-I423 PolarHBondContact O-N 3.07Å; V420-I423 PolarHBondContact O-N 3.44Å; G421-I423 PolarHBondContact O-N 3.34Å; I423-L425 PolarHBondContact O-N 2.83Å; I423-Y426 PolarHBondContact O-N 2.99Å; I423-S427 PolarHBondContact O-N 3.36Å; I423-S427 PolarHBondContact O-OG 3.08Å
424L96.3Very high92.8Very high39 Ų3926.5 Ų26.520%0.20414%0.137CC..Hα-helixtrans-59.4-44.8175.2-69.3172000111.8V420 G421 Y426 S427 T428 F447 V450V420-L424 HydrophobicContact CG1-CD1 4.49Å; V420-L424 WeakPolarHBondContact O-CG 3.43Å; V420-L424 PolarHBondContact O-N 3.42Å; G421-L424 PolarHBondContact O-N 3.49Å; L424-Y426 PolarHBondContact O-N 2.92Å; L424-S427 WeakPolarHBondContact O-CB 3.2Å; L424-S427 PolarHBondContact O-N 3Å; L424-S427 VanDerWaalsContact O-N 3.15Å; L424-T428 PolarHBondContact O-N 3.15Å; L424-F447 HydrophobicContact CD2-CD1 3.98Å; L424-F447 HydrophobicContact CD2-CE1 4.24Å; L424-V450 HydrophobicContact CD1-CB 4.49Å; L424-V450 HydrophobicContact CD1-CG1 3.96Å
425L96Very high92.4Very high17 Ų1729.9 Ų29.99%0.08916%0.159CC..Hα-helixtrans-60.6-42.4175.2-73.1175.5000112G421 A422 I423 S427 T428 F452 M455 Y456 V668G421-L425 WeakPolarHBondContact O-CG 3.49Å; G421-L425 PolarHBondContact O-N 3.38Å; A422-L425 PolarHBondContact O-N 2.84Å; I423-L425 PolarHBondContact O-N 2.83Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.16Å; L425-T428 WeakPolarHBondContact O-CB 3.35Å; L425-T428 WeakPolarHBondContact O-CG2 3.47Å; L425-T428 PolarHBondContact O-N 2.72Å; L425-T428 PolarHBondContact O-OG1 2.96Å; L425-F452 HydrophobicContact CD2-CB 4.39Å; L425-M455 HydrophobicContact CD1-CB 4.14Å; L425-M455 HydrophobicContact CD1-CG 4.49Å; L425-M455 HydrophobicContact CD1-SD 3.78Å; L425-Y456 HydrophobicContact CD1-CE2 4.44Å; L425-V668 HydrophobicContact CB-CG2 3.87Å; L425-V668 HydrophobicContact CD1-CG2 3.91Å
426Y95.8Very high92.2Very high3 Ų331.7 Ų31.71%0.01217%0.171CC..Hα-helixtrans-65.5-34.4174.8-69.3-49.4000112.7Q384 C387 I388 A422 I423 L424 T428 I429 S664 V668 T669 L672Q384-Y426 VanDerWaalsContact NE2-CA 3.29Å; Q384-Y426 PolarHBondContact NE2-O 3.2Å; C387-Y426 HydrophobicContact CB-CE2 4.44Å; I388-Y426 HydrophobicContact CG1-CD2 4.26Å; I388-Y426 HydrophobicContact CG1-CG 4.24Å; A422-Y426 WeakPolarHBondContact O-CD2 3.28Å; A422-Y426 PolarHBondContact O-N 2.88Å; I423-Y426 PolarHBondContact O-N 2.99Å; L424-Y426 PolarHBondContact O-N 2.92Å; Y426-T428 PolarHBondContact O-N 3.04Å; Y426-I429 PolarHBondContact O-N 3.25Å; Y426-S664 WeakPolarHBondContact CD1-OG 3.42Å; Y426-V668 HydrophobicContact CD1-CB 4.41Å; Y426-V668 HydrophobicContact CD1-CG1 4.4Å; Y426-V668 HydrophobicContact CD2-CG1 4.4Å; Y426-V668 HydrophobicContact CE1-CB 3.76Å; Y426-V668 HydrophobicContact CE1-CG1 3.83Å; Y426-V668 HydrophobicContact CE1-CG2 4.48Å; Y426-V668 HydrophobicContact CE2-CG1 3.81Å; Y426-T669 WeakPolarHBondContact OH-CA 3.35Å; Y426-T669 PolarHBondContact OH-N 3Å; Y426-T669 PolarHBondContact OH-OG1 3.23Å; Y426-L672 HydrophobicContact CE2-CD1 4.17Å
427S94Very high91.9Very high27 Ų2732.6 Ų32.619%0.18918%0.18CC..Hα-helixtrans-62.3-22.6176.1-67.50000114I423 L424 L425 I429 V430 V431I423-S427 PolarHBondContact O-N 3.36Å; I423-S427 PolarHBondContact O-OG 3.08Å; L424-S427 WeakPolarHBondContact O-CB 3.2Å; L424-S427 PolarHBondContact O-N 3Å; L424-S427 VanDerWaalsContact O-N 3.15Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.16Å; S427-I429 VanDerWaalsContact C-N 3.33Å; S427-I429 PolarHBondContact O-N 3.3Å; S427-V430 WeakPolarHBondContact O-CB 3.34Å; S427-V430 PolarHBondContact O-N 3.29Å; S427-V430 VanDerWaalsContact O-N 3.15Å; S427-V431 PolarHBondContact O-N 3.42Å
428T94.1Very high91.5Very high14 Ų1432.9 Ų32.99%0.08618%0.182CC..Hα-helixtrans-56.3-45.6174.662.90000112.3L424 L425 Y426 V430 V431 M432 L444 F447 R448L424-T428 PolarHBondContact O-N 3.15Å; L425-T428 WeakPolarHBondContact O-CB 3.35Å; L425-T428 WeakPolarHBondContact O-CG2 3.47Å; L425-T428 PolarHBondContact O-N 2.72Å; L425-T428 PolarHBondContact O-OG1 2.96Å; Y426-T428 PolarHBondContact O-N 3.04Å; T428-V430 VanDerWaalsContact C-N 3.3Å; T428-V430 PolarHBondContact O-N 2.66Å; T428-V431 PolarHBondContact O-N 3.19Å; T428-M432 PolarHBondContact O-N 3.12Å; T428-L444 WeakPolarHBondContact O-CD1 3.46Å; T428-F447 VanDerWaalsContact CG2-C 3.48Å; T428-F447 HydrophobicContact CG2-CB 3.7Å; T428-R448 HydrophobicContact CG2-CB 4Å; T428-R448 VanDerWaalsContact CG2-N 3.35Å
429I93.3Very high91.2Very high2 Ų238.6 Ų38.61%0.0121%0.211CC..Hα-helixtrans-68.4-32179.6-49.9-55.3000111Q384 Y426 S427 V431 M432 Y433 F657 Y660 F661Q384-I429 HydrophobicContact CG-CB 4.27Å; Y426-I429 PolarHBondContact O-N 3.25Å; S427-I429 VanDerWaalsContact C-N 3.33Å; S427-I429 PolarHBondContact O-N 3.3Å; I429-V431 VanDerWaalsContact C-N 3.34Å; I429-M432 HydrophobicContact CD1-SD 4.27Å; I429-M432 PolarHBondContact O-N 3.46Å; I429-Y433 PolarHBondContact O-N 3Å; I429-F657 HydrophobicContact CG2-CD2 4.32Å; I429-F657 HydrophobicContact CG2-CE2 3.63Å; I429-F657 HydrophobicContact CG2-CZ 4.12Å; I429-Y660 WeakPolarHBondContact CD1-O 3.47Å; I429-F661 HydrophobicContact CG2-CB 4.38Å
430V92.6Very high90.9Very high35 Ų3539 Ų3921%0.21222%0.215CC..Hα-helixtrans-67.2-36.1174.1-176.30000111L381 Q384 I388 S427 T428 Y433 F434L381-V430 HydrophobicContact CD1-CB 4.48Å; L381-V430 HydrophobicContact CD1-CG1 4.19Å; L381-V430 HydrophobicContact CD1-CG2 4.28Å; Q384-V430 HydrophobicContact CG-CG2 4.11Å; I388-V430 HydrophobicContact CD1-CG2 3.93Å; S427-V430 WeakPolarHBondContact O-CB 3.34Å; S427-V430 PolarHBondContact O-N 3.29Å; S427-V430 VanDerWaalsContact O-N 3.15Å; T428-V430 VanDerWaalsContact C-N 3.3Å; T428-V430 PolarHBondContact O-N 2.66Å; V430-Y433 WeakPolarHBondContact O-CB 3.49Å; V430-Y433 PolarHBondContact O-N 3.41Å; V430-F434 WeakPolarHBondContact O-CD2 3.35Å; V430-F434 WeakPolarHBondContact O-CE2 3.48Å
431V92.5Very high90.7Very high19 Ų1935.4 Ų35.412%0.11519%0.193CC..Hα-helixtrans-68.5-39.2172.4177.10000111.2S427 T428 I429 Y433 F434 I443 L444 F447S427-V431 PolarHBondContact O-N 3.42Å; T428-V431 PolarHBondContact O-N 3.19Å; I429-V431 VanDerWaalsContact C-N 3.34Å; V431-Y433 PolarHBondContact O-N 2.88Å; V431-Y433 VanDerWaalsContact O-N 3.12Å; V431-F434 PolarHBondContact O-N 3.37Å; V431-I443 HydrophobicContact CG1-CG2 4.46Å; V431-I443 HydrophobicContact CG2-CG2 3.91Å; V431-L444 HydrophobicContact CG1-CB 4.06Å; V431-F447 HydrophobicContact CG2-CD2 3.59Å; V431-F447 HydrophobicContact CG2-CE2 3.58Å
432M89.3Confident90.4Very high32 Ų3236.5 Ų36.516%0.15820%0.199CC..THydrogen-bonded Turntrans-64.5-8.2172.7-68.4-174.3159.200114.7R377 T428 I429 L444 F657 Y660R377-M432 PolarHBondContact NH2-O 3.26Å; T428-M432 PolarHBondContact O-N 3.12Å; I429-M432 HydrophobicContact CD1-SD 4.27Å; I429-M432 PolarHBondContact O-N 3.46Å; M432-L444 HydrophobicContact CE-CD1 4.11Å; M432-L444 HydrophobicContact CE-CD2 3.81Å; M432-L444 HydrophobicContact CE-CG 4.48Å; M432-L444 HydrophobicContact CG-CD1 3.69Å; M432-L444 HydrophobicContact CG-CD2 3.95Å; M432-L444 HydrophobicContact CG-CG 4.49Å; M432-F657 HydrophobicContact CB-CD2 3.82Å; M432-F657 HydrophobicContact CB-CE2 4.19Å; M432-Y660 HydrophobicContact CE-CD1 3.78Å; M432-Y660 HydrophobicContact CE-CD2 3.98Å; M432-Y660 HydrophobicContact CE-CE1 4.05Å; M432-Y660 HydrophobicContact CE-CE2 4.25Å; M432-Y660 HydrophobicContact CE-CG 3.74Å; M432-Y660 HydrophobicContact SD-CD1 4.41Å; M432-Y660 HydrophobicContact SD-CD2 4.47Å; M432-Y660 HydrophobicContact SD-CG 4.01Å
433Y87.3Confident90.3Very high54 Ų5439.6 Ų39.621%0.21221%0.214CC..THydrogen-bonded Turntrans-80.8-24.3173.5174.9-93.9000113.4R377 L381 I429 V430 V431R377-Y433 HydrophobicContact CB-CD2 4.38Å; R377-Y433 HydrophobicContact CB-CE2 4.23Å; R377-Y433 HydrophobicContact CG-CD2 3.88Å; R377-Y433 HydrophobicContact CG-CE2 4.17Å; R377-Y433 PolarHBondContact NE-O 2.74Å; R377-Y433 PolarHBondContact NH1-O 2.94Å; R377-Y433 VanDerWaalsContact NH1-O 3.14Å; R377-Y433 VanDerWaalsContact NH2-C 3.28Å; R377-Y433 PolarHBondContact NH2-O 3.45Å; R377-Y433 VanDerWaalsContact NH2-O 3.08Å; L381-Y433 HydrophobicContact CB-CD2 4.19Å; L381-Y433 HydrophobicContact CD1-CD2 4.48Å; L381-Y433 HydrophobicContact CD1-CG 4.09Å; L381-Y433 HydrophobicContact CD2-CD1 3.81Å; L381-Y433 HydrophobicContact CD2-CD2 3.76Å; L381-Y433 HydrophobicContact CD2-CE1 3.91Å; L381-Y433 HydrophobicContact CD2-CE2 3.86Å; L381-Y433 HydrophobicContact CD2-CG 3.75Å; L381-Y433 HydrophobicContact CG-CD2 4.36Å; L381-Y433 HydrophobicContact CG-CG 4.37Å; I429-Y433 PolarHBondContact O-N 3Å; V430-Y433 WeakPolarHBondContact O-CB 3.49Å; V430-Y433 PolarHBondContact O-N 3.41Å; V431-Y433 PolarHBondContact O-N 2.88Å; V431-Y433 VanDerWaalsContact O-N 3.12Å
434F86Confident90.1Very high115 Ų11539.5 Ų39.550%0.50421%0.214SC..SBendtrans-75.5158.2-179.7-68.2-77.4000111.8R377 V430 V431R377-F434 PolarHBondContact NH2-O 2.69Å; V430-F434 WeakPolarHBondContact O-CD2 3.35Å; V430-F434 WeakPolarHBondContact O-CE2 3.48Å; V431-F434 PolarHBondContact O-N 3.37Å
435P80.3Confident89.9Confident78 Ų7838.8 Ų38.851%0.50621%0.212SC..PPolyproline II helixtrans-62.8148.4167.827.7-35.1000110.3S437P435-S437 PolarHBondContact O-N 2.9Å; P435-S437 VanDerWaalsContact O-N 3.14Å
436V84Confident89.8Confident48 Ų4840.6 Ų40.629%0.29122%0.217SC..PPolyproline II helixtrans-66.8116.2-173.7-71.70000112K537 E584V436-K537 WeakPolarHBondContact O-CE 3.38Å; V436-E584 HydrophobicContact CG2-CB 3.4Å; V436-E584 VanDerWaalsContact CG2-CB 3.4Å; V436-E584 WeakPolarHBondContact CG2-O 3.38Å
437S84.9Confident89.8Confident45 Ų4543.5 Ų43.532%0.31523%0.23SC..  trans-126.1154.517560.90000109.2P435 I439 S440 C441P435-S437 PolarHBondContact O-N 2.9Å; P435-S437 VanDerWaalsContact O-N 3.14Å; S437-I439 PolarHBondContact O-N 3.14Å; S437-S440 PolarHBondContact N-OG 2.88Å; S437-S440 PolarHBondContact O-N 3.15Å; S437-S440 PolarHBondContact O-OG 2.88Å; S437-S440 WeakPolarHBondContact OG-CB 3.36Å; S437-S440 PolarHBondContact OG-N 3.39Å; S437-S440 VanDerWaalsContact OG-N 3.12Å; S437-S440 PolarHBondContact OG-OG 3.46Å; S437-C441 PolarHBondContact O-N 3.44Å; S437-C441 PolarHBondContact O-SG 3.23Å
438D83.4Confident89.8Confident46 Ų4643.9 Ų43.925%0.24623%0.228CC..Hα-helixtrans-60.8-35.6-179-41.6-87.1000110C441 L442 I511 K537D438-C441 PolarHBondContact O-N 3.04Å; D438-L442 WeakPolarHBondContact O-CG 3.43Å; D438-L442 PolarHBondContact O-N 3.39Å; D438-I511 HydrophobicContact CB-CD1 4.34Å; D438-K537 VanDerWaalsContact CG-NZ 3.3Å; D438-K537 WeakPolarHBondContact OD1-CE 3.48Å; D438-K537 IonicContact OD1-NZ 2.94Å; D438-K537 PolarHBondContact OD1-NZ 2.84Å; D438-K537 VanDerWaalsContact OD2-CE 3.28Å; D438-K537 WeakPolarHBondContact OD2-CE 3.28Å; D438-K537 IonicContact OD2-NZ 3.79Å; D438-K537 PolarHBondContact OD2-NZ 2.87Å
439I87.2Confident89.8Confident121 Ų12144 Ų4462%0.62123%0.227SC*.Hα-helixtrans-60.4-47.7170.2-59.2175.7000111.8S437 C441 L442 I443S437-I439 PolarHBondContact O-N 3.14Å; I439-C441 VanDerWaalsContact C-N 3.34Å; I439-C441 PolarHBondContact O-N 3.03Å; I439-L442 PolarHBondContact O-N 2.88Å; I439-I443 HydrophobicContact CG2-CD1 3.64Å; I439-I443 HydrophobicContact CG2-CG1 4.33Å; I439-I443 WeakPolarHBondContact O-CG1 3.37Å; I439-I443 PolarHBondContact O-N 3.03Å
440S89.4Confident89.9Confident14 Ų1444.8 Ų44.810%0.09823%0.232CC..Hα-helixtrans-65.5-35.2177.763.20000113.1S437 L442 I443 L444S437-S440 PolarHBondContact N-OG 2.88Å; S437-S440 PolarHBondContact O-N 3.15Å; S437-S440 PolarHBondContact O-OG 2.88Å; S437-S440 WeakPolarHBondContact OG-CB 3.36Å; S437-S440 PolarHBondContact OG-N 3.39Å; S437-S440 VanDerWaalsContact OG-N 3.12Å; S437-S440 PolarHBondContact OG-OG 3.46Å; S440-L442 VanDerWaalsContact C-N 3.3Å; S440-L442 PolarHBondContact O-N 2.92Å; S440-I443 PolarHBondContact O-N 2.89Å; S440-L444 VanDerWaalsContact O-CB 3.26Å; S440-L444 WeakPolarHBondContact O-CB 3.31Å; S440-L444 PolarHBondContact O-N 2.9Å
441C89.7Confident90.1Very high5 Ų543.1 Ų43.13%0.03422%0.222CC..Hα-helixtrans-70-26176.1-62.70000112.8S437 D438 I439 P445 M536 C586S437-C441 PolarHBondContact O-N 3.44Å; S437-C441 PolarHBondContact O-SG 3.23Å; D438-C441 PolarHBondContact O-N 3.04Å; I439-C441 VanDerWaalsContact C-N 3.34Å; I439-C441 PolarHBondContact O-N 3.03Å; C441-P445 VanDerWaalsContact O-CD 3.23Å; C441-P445 WeakPolarHBondContact O-CD 3.46Å; C441-M536 HydrophobicContact CB-CB 4.18Å; C441-M536 HydrophobicContact CB-CE 4.27Å; C441-C586 WeakPolarHBondContact CA-SG 3.26Å; C441-C586 HydrophobicContact CB-CB 3.79Å; C441-C586 WeakPolarHBondContact CB-SG 3.42Å; C441-C586 VanDerWaalsContact SG-CA 3.52Å; C441-C586 WeakPolarHBondContact SG-CB 3.06Å; C441-C586 CovalentContact SG-SG 2.04Å; C441-C586 PolarHBondContact SG-SG 3.14Å
442L90.9Very high90.2Very high23 Ų2342.6 Ų42.612%0.1222%0.218CC..Hα-helixtrans-74.6-52.8167.2-69.8169.8000111.9D438 I439 S440 L444 P445 W503 T504 N507 M536D438-L442 WeakPolarHBondContact O-CG 3.43Å; D438-L442 PolarHBondContact O-N 3.39Å; I439-L442 PolarHBondContact O-N 2.88Å; S440-L442 VanDerWaalsContact C-N 3.3Å; S440-L442 PolarHBondContact O-N 2.92Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.12Å; L442-P445 WeakPolarHBondContact O-CD 3.29Å; L442-W503 HydrophobicContact CD2-CE3 4.46Å; L442-W503 HydrophobicContact CD2-CH2 4.02Å; L442-W503 HydrophobicContact CD2-CZ3 3.67Å; L442-T504 HydrophobicContact CD2-CG2 4.32Å; L442-N507 HydrophobicContact CD2-CB 3.91Å; L442-M536 HydrophobicContact CD2-CE 3.86Å; L442-M536 HydrophobicContact CD2-SD 3.65Å; L442-M536 HydrophobicContact CG-CE 4.3Å; L442-M536 HydrophobicContact CG-SD 3.74Å
443I92.3Very high90.5Very high64 Ų6441.1 Ų41.133%0.32821%0.211SC..Hα-helixtrans-66.1-29.7-172.5-64.7173.9000112.6V431 I439 S440 W446 F447V431-I443 HydrophobicContact CG1-CG2 4.46Å; V431-I443 HydrophobicContact CG2-CG2 3.91Å; I439-I443 HydrophobicContact CG2-CD1 3.64Å; I439-I443 HydrophobicContact CG2-CG1 4.33Å; I439-I443 WeakPolarHBondContact O-CG1 3.37Å; I439-I443 PolarHBondContact O-N 3.03Å; S440-I443 PolarHBondContact O-N 2.89Å; I443-W446 WeakPolarHBondContact O-CB 3.3Å; I443-W446 PolarHBondContact O-N 2.75Å; I443-F447 HydrophobicContact CG2-CD2 3.84Å; I443-F447 HydrophobicContact CG2-CE1 4.43Å; I443-F447 HydrophobicContact CG2-CE2 3.59Å; I443-F447 HydrophobicContact CG2-CG 4.37Å; I443-F447 HydrophobicContact CG2-CZ 3.91Å; I443-F447 PolarHBondContact O-N 3.22Å; I443-F447 VanDerWaalsContact O-N 3.14Å
444L92.3Very high90.9Very high29 Ų2939.1 Ų39.115%0.15220%0.204CC..Hα-helixtrans-61.3-51.3-175.8175.462.7000113.2T428 V431 M432 S440 L442 R448T428-L444 WeakPolarHBondContact O-CD1 3.46Å; V431-L444 HydrophobicContact CG1-CB 4.06Å; M432-L444 HydrophobicContact CE-CD1 4.11Å; M432-L444 HydrophobicContact CE-CD2 3.81Å; M432-L444 HydrophobicContact CE-CG 4.48Å; M432-L444 HydrophobicContact CG-CD1 3.69Å; M432-L444 HydrophobicContact CG-CD2 3.95Å; M432-L444 HydrophobicContact CG-CG 4.49Å; S440-L444 VanDerWaalsContact O-CB 3.26Å; S440-L444 WeakPolarHBondContact O-CB 3.31Å; S440-L444 PolarHBondContact O-N 2.9Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.12Å; L444-R448 PolarHBondContact O-N 3.08Å
445P92.8Very high91.4Very high23 Ų2333.7 Ų33.715%0.14918%0.181CC..Hα-helixtrans-55.5-44.4167.6-31.638.4000114.3C441 L442 F447 R448 E449 M500 W503C441-P445 VanDerWaalsContact O-CD 3.23Å; C441-P445 WeakPolarHBondContact O-CD 3.46Å; L442-P445 WeakPolarHBondContact O-CD 3.29Å; P445-F447 PolarHBondContact O-N 3.27Å; P445-R448 WeakPolarHBondContact O-CA 3.43Å; P445-R448 WeakPolarHBondContact O-CB 3.04Å; P445-R448 PolarHBondContact O-N 3.23Å; P445-E449 WeakPolarHBondContact O-CG 3.45Å; P445-E449 PolarHBondContact O-N 3.01Å; P445-M500 HydrophobicContact CB-SD 4.48Å; P445-W503 HydrophobicContact CB-CH2 4.04Å; P445-W503 HydrophobicContact CB-CZ2 4.4Å; P445-W503 HydrophobicContact CB-CZ3 4.32Å; P445-W503 HydrophobicContact CG-CH2 3.67Å; P445-W503 HydrophobicContact CG-CZ2 3.99Å; P445-W503 HydrophobicContact CG-CZ3 4.39Å
446W94.2Very high92.1Very high55 Ų5530 Ų3021%0.20816%0.156CC..Hα-helixtrans-53.3-48.7-179.6-88.992000113.1I443 R448 V450 F497 M500 I501 T504I443-W446 WeakPolarHBondContact O-CB 3.3Å; I443-W446 PolarHBondContact O-N 2.75Å; W446-R448 VanDerWaalsContact C-N 3.34Å; W446-V450 HydrophobicContact CE3-CG2 4.03Å; W446-V450 HydrophobicContact CZ3-CG2 4.48Å; W446-V450 WeakPolarHBondContact O-CB 3.49Å; W446-V450 WeakPolarHBondContact O-CG2 3.41Å; W446-V450 PolarHBondContact O-N 3.29Å; W446-V450 VanDerWaalsContact O-N 3.09Å; W446-F497 HydrophobicContact CH2-CE2 4.31Å; W446-F497 HydrophobicContact CH2-CZ 4.3Å; W446-F497 AromaticContact CZ3-CD2 3.73Å; W446-F497 HydrophobicContact CZ3-CD2 3.73Å; W446-F497 AromaticContact CZ3-CE2 3.6Å; W446-F497 HydrophobicContact CZ3-CE2 3.6Å; W446-F497 HydrophobicContact CZ3-CG 4.27Å; W446-F497 HydrophobicContact CZ3-CZ 4.04Å; W446-M500 HydrophobicContact CD2-CB 3.76Å; W446-M500 HydrophobicContact CD2-CG 4.28Å; W446-M500 HydrophobicContact CE3-CB 3.71Å; W446-M500 HydrophobicContact CE3-CG 4.18Å; W446-M500 HydrophobicContact CG-SD 4.41Å; W446-M500 HydrophobicContact CH2-CB 3.65Å; W446-M500 HydrophobicContact CZ2-CB 3.69Å; W446-M500 HydrophobicContact CZ3-CB 3.65Å; W446-M500 HydrophobicContact CZ3-CG 4.47Å; W446-I501 HydrophobicContact CH2-CG1 3.79Å; W446-I501 HydrophobicContact CZ2-CG1 4.27Å; W446-T504 PolarHBondContact NE1-OG1 3.27Å
447F95.2Very high92.6Very high65 Ų6527.7 Ų27.729%0.28514%0.143SC..Hα-helixtrans-70.3-29.1178.3-71.8-20.3000113L424 T428 V431 I443 P445 G451L424-F447 HydrophobicContact CD2-CD1 3.98Å; L424-F447 HydrophobicContact CD2-CE1 4.24Å; T428-F447 VanDerWaalsContact CG2-C 3.48Å; T428-F447 HydrophobicContact CG2-CB 3.7Å; V431-F447 HydrophobicContact CG2-CD2 3.59Å; V431-F447 HydrophobicContact CG2-CE2 3.58Å; I443-F447 HydrophobicContact CG2-CD2 3.84Å; I443-F447 HydrophobicContact CG2-CE1 4.43Å; I443-F447 HydrophobicContact CG2-CE2 3.59Å; I443-F447 HydrophobicContact CG2-CG 4.37Å; I443-F447 HydrophobicContact CG2-CZ 3.91Å; I443-F447 PolarHBondContact O-N 3.22Å; I443-F447 VanDerWaalsContact O-N 3.14Å; P445-F447 PolarHBondContact O-N 3.27Å; F447-G451 WeakPolarHBondContact O-CA 3.22Å; F447-G451 PolarHBondContact O-N 3.32Å; F447-G451 VanDerWaalsContact O-N 3.16Å
448R94.3Very high93Very high34 Ų3425.6 Ų25.613%0.12813%0.128CC..Hα-helixtrans-68.4-57.5174.9-167.9-177.977.7164.49.4110.7T428 L444 P445 W446 G451 F452 E596T428-R448 HydrophobicContact CG2-CB 4Å; T428-R448 VanDerWaalsContact CG2-N 3.35Å; L444-R448 PolarHBondContact O-N 3.08Å; P445-R448 WeakPolarHBondContact O-CA 3.43Å; P445-R448 WeakPolarHBondContact O-CB 3.04Å; P445-R448 PolarHBondContact O-N 3.23Å; W446-R448 VanDerWaalsContact C-N 3.34Å; R448-G451 PolarHBondContact O-N 3.38Å; R448-F452 VanDerWaalsContact O-CB 3.27Å; R448-F452 WeakPolarHBondContact O-CB 3.39Å; R448-F452 PolarHBondContact O-N 2.94Å; R448-E596 IonicContact CZ-OE1 3.96Å; R448-E596 IonicContact NH1-OE1 3.01Å; R448-E596 PolarHBondContact NH1-OE1 3.46Å; R448-E596 IonicContact NH2-OE1 3.66Å
449E94.1Very high93.5Very high16 Ų1623.4 Ų23.48%0.07512%0.116CC..Hα-helixtrans-69.2-46.3-172.4-60.6-45.7132.100112.8P445 G451 F452 S453 M500 V595P445-E449 WeakPolarHBondContact O-CG 3.45Å; P445-E449 PolarHBondContact O-N 3.01Å; E449-G451 VanDerWaalsContact C-N 3.34Å; E449-F452 PolarHBondContact O-N 3.24Å; E449-S453 WeakPolarHBondContact O-CB 3.3Å; E449-S453 PolarHBondContact O-N 3.46Å; E449-M500 HydrophobicContact CB-CE 4.15Å; E449-M500 HydrophobicContact CB-CG 4.21Å; E449-M500 HydrophobicContact CB-SD 3.8Å; E449-M500 HydrophobicContact CG-CE 3.64Å; E449-M500 HydrophobicContact CG-SD 3.74Å; E449-V595 HydrophobicContact CG-CG1 4.26Å; E449-V595 VanDerWaalsContact OE1-CG1 3.25Å; E449-V595 WeakPolarHBondContact OE1-CG1 3.31Å; E449-V595 WeakPolarHBondContact OE2-CG1 3.48Å
450V95.4Very high93.8Very high20 Ų2019.1 Ų19.112%0.1219%0.094CC..Hα-helixtrans-69.6-37.1178-175.60000109.9L424 W446 V454 F497 M500L424-V450 HydrophobicContact CD1-CB 4.49Å; L424-V450 HydrophobicContact CD1-CG1 3.96Å; W446-V450 HydrophobicContact CE3-CG2 4.03Å; W446-V450 HydrophobicContact CZ3-CG2 4.48Å; W446-V450 WeakPolarHBondContact O-CB 3.49Å; W446-V450 WeakPolarHBondContact O-CG2 3.41Å; W446-V450 PolarHBondContact O-N 3.29Å; W446-V450 VanDerWaalsContact O-N 3.09Å; V450-V454 HydrophobicContact CG1-CG2 4.15Å; V450-V454 VanDerWaalsContact O-CB 3.3Å; V450-V454 WeakPolarHBondContact O-CB 3.32Å; V450-V454 WeakPolarHBondContact O-CG2 3.08Å; V450-V454 PolarHBondContact O-N 3.49Å; V450-F497 HydrophobicContact CG2-CD2 4.48Å; V450-M500 HydrophobicContact CG2-CG 4.42Å
451G96Very high93.9Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-61.7-47.8173.900000113F447 R448 E449 V454 M455F447-G451 WeakPolarHBondContact O-CA 3.22Å; F447-G451 PolarHBondContact O-N 3.32Å; F447-G451 VanDerWaalsContact O-N 3.16Å; R448-G451 PolarHBondContact O-N 3.38Å; E449-G451 VanDerWaalsContact C-N 3.34Å; G451-V454 PolarHBondContact O-N 3.38Å; G451-M455 WeakPolarHBondContact O-CB 3.48Å; G451-M455 PolarHBondContact O-N 2.91Å
452F95.5Very high93.9Very high8 Ų819.7 Ų19.74%0.03510%0.096CC..Hα-helixtrans-60.7-50.8175.8178.8-87000110.8L425 R448 E449 V454 M455 Y456 E599 L603 E633L425-F452 HydrophobicContact CD2-CB 4.39Å; R448-F452 VanDerWaalsContact O-CB 3.27Å; R448-F452 WeakPolarHBondContact O-CB 3.39Å; R448-F452 PolarHBondContact O-N 2.94Å; E449-F452 PolarHBondContact O-N 3.24Å; F452-V454 VanDerWaalsContact C-N 3.34Å; F452-V454 PolarHBondContact O-N 2.93Å; F452-M455 PolarHBondContact O-N 3.4Å; F452-Y456 AromaticContact CD2-CD2 3.37Å; F452-Y456 HydrophobicContact CD2-CD2 3.37Å; F452-Y456 AromaticContact CD2-CE2 3.83Å; F452-Y456 HydrophobicContact CD2-CE2 3.83Å; F452-Y456 HydrophobicContact CD2-CG 4.35Å; F452-Y456 AromaticContact CE2-CD2 3.55Å; F452-Y456 HydrophobicContact CE2-CD2 3.55Å; F452-Y456 HydrophobicContact CE2-CE2 4.04Å; F452-Y456 HydrophobicContact CE2-CG 4.17Å; F452-Y456 AromaticContact CG-CD2 3.93Å; F452-Y456 HydrophobicContact CG-CD2 3.93Å; F452-Y456 HydrophobicContact CZ-CD2 4.23Å; F452-Y456 HydrophobicContact CZ-CG 4.48Å; F452-Y456 WeakPolarHBondContact O-CB 3.29Å; F452-Y456 PolarHBondContact O-N 3.06Å; F452-E599 HydrophobicContact CD1-CG 4.13Å; F452-E599 HydrophobicContact CD2-CG 4.33Å; F452-E599 VanDerWaalsContact CD2-OE1 3.29Å; F452-E599 WeakPolarHBondContact CD2-OE1 3.38Å; F452-E599 HydrophobicContact CE1-CB 4.21Å; F452-E599 HydrophobicContact CE1-CG 3.88Å; F452-E599 HydrophobicContact CE2-CB 4.24Å; F452-E599 HydrophobicContact CE2-CG 4.09Å; F452-E599 HydrophobicContact CG-CG 4.37Å; F452-E599 WeakPolarHBondContact CG-OE1 3.43Å; F452-E599 HydrophobicContact CZ-CB 3.84Å; F452-E599 HydrophobicContact CZ-CG 3.86Å; F452-L603 HydrophobicContact CE2-CD1 4.19Å; F452-L603 HydrophobicContact CE2-CD2 4.37Å; F452-L603 HydrophobicContact CE2-CG 4.39Å; F452-L603 HydrophobicContact CZ-CD1 4.18Å; F452-L603 HydrophobicContact CZ-CD2 4.16Å; F452-L603 HydrophobicContact CZ-CG 3.99Å; F452-E633 HydrophobicContact CE2-CG 4.27Å
453S95.3Very high93.9Very high1 Ų118.8 Ų18.81%0.0079%0.091CC..Hα-helixtrans-58.6-43.1-180-174.30000112.2E449 G457 F492 T496E449-S453 WeakPolarHBondContact O-CB 3.3Å; E449-S453 PolarHBondContact O-N 3.46Å; S453-G457 WeakPolarHBondContact O-CA 3.45Å; S453-G457 PolarHBondContact O-N 3.06Å; S453-F492 WeakPolarHBondContact O-CE1 3.33Å; S453-F492 WeakPolarHBondContact OG-CD1 3.35Å; S453-F492 WeakPolarHBondContact OG-CE1 3.45Å; S453-T496 WeakPolarHBondContact CB-OG1 3.3Å; S453-T496 WeakPolarHBondContact OG-CG2 3.4Å; S453-T496 PolarHBondContact OG-OG1 2.89Å
454V96Very high93.8Very high11 Ų1119.6 Ų19.67%0.0679%0.09CC..Hα-helixtrans-70.9-47.7178.1174.20000111.8I417 V450 G451 F452 V458 I493I417-V454 HydrophobicContact CG2-CG1 3.63Å; I417-V454 VanDerWaalsContact O-CG1 3.26Å; I417-V454 WeakPolarHBondContact O-CG1 3.41Å; V450-V454 HydrophobicContact CG1-CG2 4.15Å; V450-V454 VanDerWaalsContact O-CB 3.3Å; V450-V454 WeakPolarHBondContact O-CB 3.32Å; V450-V454 WeakPolarHBondContact O-CG2 3.08Å; V450-V454 PolarHBondContact O-N 3.49Å; G451-V454 PolarHBondContact O-N 3.38Å; F452-V454 VanDerWaalsContact C-N 3.34Å; F452-V454 PolarHBondContact O-N 2.93Å; V454-V458 WeakPolarHBondContact O-CG2 3.42Å; V454-V458 PolarHBondContact O-N 3.16Å; V454-I493 HydrophobicContact CG2-CD1 3.88Å; V454-I493 HydrophobicContact CG2-CG1 3.99Å; V454-I493 HydrophobicContact CG2-CG2 4.26Å
455M95.2Very high93.6Very high1 Ų122.1 Ų22.11%0.00510%0.098CC..Hα-helixtrans-70.2-53.7-177.1175.7164.4158.600112.1M418 A422 L425 G451 F452 V458 V668 N671M418-M455 HydrophobicContact CG-CG 4.41Å; A422-M455 HydrophobicContact CB-SD 4.06Å; L425-M455 HydrophobicContact CD1-CB 4.14Å; L425-M455 HydrophobicContact CD1-CG 4.49Å; L425-M455 HydrophobicContact CD1-SD 3.78Å; G451-M455 WeakPolarHBondContact O-CB 3.48Å; G451-M455 PolarHBondContact O-N 2.91Å; F452-M455 PolarHBondContact O-N 3.4Å; M455-V458 PolarHBondContact O-N 3.33Å; M455-V668 HydrophobicContact CE-CG1 4.5Å; M455-V668 HydrophobicContact SD-CG1 4.1Å; M455-N671 HydrophobicContact CE-CB 3.85Å
456Y95.1Very high93.2Very high0 Ų023 Ų230%010%0.103CC..Hα-helixtrans-78-31.4-176.6-69.7-69.7000112.4L425 F452 V458 L459 I460 L603 L630 E633 N671L425-Y456 HydrophobicContact CD1-CE2 4.44Å; F452-Y456 AromaticContact CD2-CD2 3.37Å; F452-Y456 HydrophobicContact CD2-CD2 3.37Å; F452-Y456 AromaticContact CD2-CE2 3.83Å; F452-Y456 HydrophobicContact CD2-CE2 3.83Å; F452-Y456 HydrophobicContact CD2-CG 4.35Å; F452-Y456 AromaticContact CE2-CD2 3.55Å; F452-Y456 HydrophobicContact CE2-CD2 3.55Å; F452-Y456 HydrophobicContact CE2-CE2 4.04Å; F452-Y456 HydrophobicContact CE2-CG 4.17Å; F452-Y456 AromaticContact CG-CD2 3.93Å; F452-Y456 HydrophobicContact CG-CD2 3.93Å; F452-Y456 HydrophobicContact CZ-CD2 4.23Å; F452-Y456 HydrophobicContact CZ-CG 4.48Å; F452-Y456 WeakPolarHBondContact O-CB 3.29Å; F452-Y456 PolarHBondContact O-N 3.06Å; Y456-V458 VanDerWaalsContact C-N 3.25Å; Y456-V458 PolarHBondContact O-N 2.97Å; Y456-L459 HydrophobicContact CD1-CD1 3.82Å; Y456-L459 HydrophobicContact CD1-CG 4.48Å; Y456-L459 HydrophobicContact CE1-CD1 3.99Å; Y456-L459 WeakPolarHBondContact O-CA 3.48Å; Y456-L459 WeakPolarHBondContact O-CB 3.34Å; Y456-L459 PolarHBondContact O-N 3.43Å; Y456-I460 VanDerWaalsContact O-CG1 3.31Å; Y456-I460 WeakPolarHBondContact O-CG1 2.99Å; Y456-I460 PolarHBondContact O-N 2.95Å; Y456-L603 HydrophobicContact CD1-CD2 4.43Å; Y456-L630 HydrophobicContact CD1-CD2 3.81Å; Y456-L630 HydrophobicContact CE1-CD2 4.32Å; Y456-E633 HydrophobicContact CE1-CB 4.07Å; Y456-E633 HydrophobicContact CE1-CG 4.14Å; Y456-E633 HydrophobicContact CE2-CG 3.87Å; Y456-E633 VanDerWaalsContact CE2-OE2 3.28Å; Y456-E633 WeakPolarHBondContact CE2-OE2 3.13Å; Y456-E633 PolarHBondContact OH-OE2 3.21Å; Y456-N671 PolarHBondContact OH-ND2 3.39Å
457G94.6Very high92.9Very high1 Ų121.2 Ų21.21%0.0110%0.097CC..Hα-helixtrans-54.8-40.4170.100000112.6S453 L459 I460 V461 L489S453-G457 WeakPolarHBondContact O-CA 3.45Å; S453-G457 PolarHBondContact O-N 3.06Å; G457-L459 VanDerWaalsContact C-N 3.34Å; G457-L459 PolarHBondContact O-N 2.93Å; G457-I460 PolarHBondContact O-N 3.26Å; G457-V461 VanDerWaalsContact O-CB 3.3Å; G457-V461 WeakPolarHBondContact O-CB 3.47Å; G457-V461 VanDerWaalsContact O-CG2 3.25Å; G457-V461 WeakPolarHBondContact O-CG2 3.4Å; G457-V461 PolarHBondContact O-N 2.94Å; G457-L489 VanDerWaalsContact C-CD1 3.47Å
458V94.5Very high92.3Very high0 Ų018.9 Ų18.90%09%0.089CC..Hα-helixtrans-61.6-40.3172.6166.20000112.1L414 I417 M418 V454 M455 Y456 K462 L489L414-V458 HydrophobicContact CB-CG1 4.09Å; L414-V458 HydrophobicContact CD2-CG1 4.49Å; L414-V458 HydrophobicContact CD2-CG2 4.38Å; L414-V458 WeakPolarHBondContact O-CG1 3.35Å; I417-V458 HydrophobicContact CB-CG2 4.13Å; I417-V458 HydrophobicContact CG2-CG2 3.78Å; M418-V458 HydrophobicContact CB-CB 4.35Å; M418-V458 HydrophobicContact CB-CG1 4.05Å; M418-V458 HydrophobicContact CB-CG2 4.45Å; M418-V458 HydrophobicContact CG-CB 4.46Å; M418-V458 HydrophobicContact CG-CG1 4.22Å; M418-V458 HydrophobicContact SD-CG1 4.27Å; V454-V458 WeakPolarHBondContact O-CG2 3.42Å; V454-V458 PolarHBondContact O-N 3.16Å; M455-V458 PolarHBondContact O-N 3.33Å; Y456-V458 VanDerWaalsContact C-N 3.25Å; Y456-V458 PolarHBondContact O-N 2.97Å; V458-K462 HydrophobicContact CG1-CD 3.93Å; V458-K462 VanDerWaalsContact CG1-CE 3.41Å; V458-K462 HydrophobicContact CG1-CG 4.4Å; V458-K462 WeakPolarHBondContact O-CB 3.41Å; V458-K462 VanDerWaalsContact O-CG 3.24Å; V458-K462 WeakPolarHBondContact O-CG 3.48Å; V458-K462 PolarHBondContact O-N 3.37Å; V458-L489 HydrophobicContact CG2-CD1 4.19Å; V458-L489 HydrophobicContact CG2-CD2 3.63Å
459L93.5Very high91.5Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-67.5-43.7179.6-56.1-167.8000111.3M418 Y456 G457 V461 K462 I463 I626 L630 I675M418-L459 HydrophobicContact SD-CD2 3.67Å; Y456-L459 HydrophobicContact CD1-CD1 3.82Å; Y456-L459 HydrophobicContact CD1-CG 4.48Å; Y456-L459 HydrophobicContact CE1-CD1 3.99Å; Y456-L459 WeakPolarHBondContact O-CA 3.48Å; Y456-L459 WeakPolarHBondContact O-CB 3.34Å; Y456-L459 PolarHBondContact O-N 3.43Å; G457-L459 VanDerWaalsContact C-N 3.34Å; G457-L459 PolarHBondContact O-N 2.93Å; L459-V461 PolarHBondContact O-N 2.88Å; L459-K462 HydrophobicContact CD2-CD 4.41Å; L459-K462 WeakPolarHBondContact O-CB 3.16Å; L459-K462 PolarHBondContact O-N 3.38Å; L459-I463 WeakPolarHBondContact O-CD1 3.35Å; L459-I463 VanDerWaalsContact O-CG1 3.27Å; L459-I463 WeakPolarHBondContact O-CG1 3.33Å; L459-I463 PolarHBondContact O-N 2.92Å; L459-I626 HydrophobicContact CB-CG2 4.07Å; L459-I626 HydrophobicContact CD1-CG2 4.46Å; L459-L630 HydrophobicContact CD1-CD2 4.44Å; L459-I675 HydrophobicContact CD1-CD1 3.96Å; L459-I675 HydrophobicContact CD2-CD1 3.65Å; L459-I675 HydrophobicContact CG-CD1 4.49Å
460I93.1Very high90.7Very high31 Ų3123.1 Ų23.116%0.15912%0.115CC..Hα-helixtrans-57.2-51.1175.2-64171.1000110.4Y456 G457 K462 I463 Y464 I602 S606Y456-I460 VanDerWaalsContact O-CG1 3.31Å; Y456-I460 WeakPolarHBondContact O-CG1 2.99Å; Y456-I460 PolarHBondContact O-N 2.95Å; G457-I460 PolarHBondContact O-N 3.26Å; I460-K462 VanDerWaalsContact C-N 3.31Å; I460-K462 PolarHBondContact O-N 3.41Å; I460-I463 PolarHBondContact O-N 2.84Å; I460-I463 VanDerWaalsContact O-N 3.15Å; I460-Y464 WeakPolarHBondContact O-CB 3.33Å; I460-Y464 PolarHBondContact O-N 3.48Å; I460-I602 HydrophobicContact CD1-CG2 3.48Å; I460-I602 VanDerWaalsContact CD1-CG2 3.48Å; I460-S606 WeakPolarHBondContact CD1-OG 2.99Å; I460-S606 WeakPolarHBondContact CG1-OG 3.38Å
461V92.6Very high89.5Confident12 Ų1228.3 Ų28.37%0.07314%0.138CC..Hα-helixtrans-67-31.5-178169.10000111.9G457 L459 R465 I485 L489G457-V461 VanDerWaalsContact O-CB 3.3Å; G457-V461 WeakPolarHBondContact O-CB 3.47Å; G457-V461 VanDerWaalsContact O-CG2 3.25Å; G457-V461 WeakPolarHBondContact O-CG2 3.4Å; G457-V461 PolarHBondContact O-N 2.94Å; L459-V461 PolarHBondContact O-N 2.88Å; V461-R465 PolarHBondContact O-N 3.07Å; V461-I485 HydrophobicContact CG1-CB 4.41Å; V461-I485 HydrophobicContact CG1-CG2 3.23Å; V461-L489 HydrophobicContact CG2-CB 4.19Å; V461-L489 HydrophobicContact CG2-CD1 4.45Å
462K89.7Confident88Confident19 Ų1930 Ų308%0.08315%0.15CC..Hα-helixtrans-64.1-48.8168-76.9167.1-179.5168.40112L414 M415 M418 V458 L459 I460 Y464 R465 V466 I626L414-K462 HydrophobicContact CD1-CG 4.2Å; M415-K462 PolarHBondContact SD-NZ 3.22Å; M418-K462 PolarHBondContact SD-NZ 3.41Å; V458-K462 HydrophobicContact CG1-CD 3.93Å; V458-K462 VanDerWaalsContact CG1-CE 3.41Å; V458-K462 HydrophobicContact CG1-CG 4.4Å; V458-K462 WeakPolarHBondContact O-CB 3.41Å; V458-K462 VanDerWaalsContact O-CG 3.24Å; V458-K462 WeakPolarHBondContact O-CG 3.48Å; V458-K462 PolarHBondContact O-N 3.37Å; L459-K462 HydrophobicContact CD2-CD 4.41Å; L459-K462 WeakPolarHBondContact O-CB 3.16Å; L459-K462 PolarHBondContact O-N 3.38Å; I460-K462 VanDerWaalsContact C-N 3.31Å; I460-K462 PolarHBondContact O-N 3.41Å; K462-Y464 VanDerWaalsContact C-N 3.32Å; K462-Y464 PolarHBondContact O-N 3.35Å; K462-R465 WeakPolarHBondContact O-CB 3.46Å; K462-R465 PolarHBondContact O-N 3.32Å; K462-V466 PolarHBondContact O-N 2.89Å; K462-I626 HydrophobicContact CB-CD1 4.33Å; K462-I626 HydrophobicContact CD-CD1 4.3Å
463I91Very high86.2Confident4 Ų442 Ų422%0.02120%0.195CC..Hα-helixtrans-61.3-43.9178.4-60.6153.1000110.2L459 I460 R465 V466 L467 C610 V613 I626 L630L459-I463 WeakPolarHBondContact O-CD1 3.35Å; L459-I463 VanDerWaalsContact O-CG1 3.27Å; L459-I463 WeakPolarHBondContact O-CG1 3.33Å; L459-I463 PolarHBondContact O-N 2.92Å; I460-I463 PolarHBondContact O-N 2.84Å; I460-I463 VanDerWaalsContact O-N 3.15Å; I463-R465 VanDerWaalsContact C-N 3.35Å; I463-R465 PolarHBondContact O-N 3.13Å; I463-V466 PolarHBondContact O-N 2.85Å; I463-L467 PolarHBondContact O-N 2.68Å; I463-C610 WeakPolarHBondContact CD1-SG 3.24Å; I463-V613 HydrophobicContact CG2-CG2 4.41Å; I463-I626 HydrophobicContact CD1-CG2 3.75Å; I463-I626 HydrophobicContact CG1-CG2 3.9Å; I463-L630 HydrophobicContact CD1-CD1 3.6Å
464Y89.6Confident84.4Confident82 Ų8250.3 Ų50.332%0.32223%0.231SC..Hα-helixtrans-59.6-40.8177.5178.1-105.3000112.8I460 K462 V466 L467 S468 Y488I460-Y464 WeakPolarHBondContact O-CB 3.33Å; I460-Y464 PolarHBondContact O-N 3.48Å; K462-Y464 VanDerWaalsContact C-N 3.32Å; K462-Y464 PolarHBondContact O-N 3.35Å; Y464-V466 VanDerWaalsContact C-N 3.29Å; Y464-V466 PolarHBondContact O-N 2.95Å; Y464-L467 PolarHBondContact O-N 3.46Å; Y464-S468 WeakPolarHBondContact O-CB 3.39Å; Y464-S468 PolarHBondContact O-N 3.14Å; Y464-S468 PolarHBondContact O-OG 3.37Å; Y464-Y488 HydrophobicContact CE1-CD2 4.32Å; Y464-Y488 HydrophobicContact CE1-CE2 4.2Å
465R87.8Confident82.6Confident81 Ų8155.4 Ų55.431%0.30627%0.274SS..Hα-helixtrans-57.5-42.5172.3-173.2-173.5-156.8-167.312.6111.6V461 K462 I463 G469 D482 I485V461-R465 PolarHBondContact O-N 3.07Å; K462-R465 WeakPolarHBondContact O-CB 3.46Å; K462-R465 PolarHBondContact O-N 3.32Å; I463-R465 VanDerWaalsContact C-N 3.35Å; I463-R465 PolarHBondContact O-N 3.13Å; R465-G469 PolarHBondContact O-N 2.81Å; R465-D482 IonicContact CZ-OD1 3.74Å; R465-D482 IonicContact CZ-OD2 2.81Å; R465-D482 IonicContact NE-OD1 3.07Å; R465-D482 IonicContact NH1-OD1 2.89Å; R465-D482 IonicContact NH2-OD1 3.03Å; R465-D482 PolarHBondContact NH2-OD1 2.98Å; R465-D482 IonicContact NH2-OD2 2.75Å; R465-D482 PolarHBondContact NH2-OD2 3.11Å; R465-I485 HydrophobicContact CB-CD1 4.09Å; R465-I485 HydrophobicContact CG-CD1 3.59Å; R465-I485 VanDerWaalsContact NE-CD1 3.34Å
466V85.1Confident80.9Confident43 Ų4362.5 Ų62.526%0.26131%0.307SS..Hα-helixtrans-69.4-49.4178.4-1750000110.4K462 I463 Y464 S468 G469 F470 V613 A616 T623K462-V466 PolarHBondContact O-N 2.89Å; I463-V466 PolarHBondContact O-N 2.85Å; Y464-V466 VanDerWaalsContact C-N 3.29Å; Y464-V466 PolarHBondContact O-N 2.95Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 3.49Å; V466-G469 WeakPolarHBondContact O-CA 3.27Å; V466-G469 PolarHBondContact O-N 3.2Å; V466-F470 HydrophobicContact CG1-CD2 3.82Å; V466-F470 HydrophobicContact CG1-CE2 3.73Å; V466-F470 VanDerWaalsContact O-CD2 3.31Å; V466-F470 WeakPolarHBondContact O-CD2 2.98Å; V466-F470 PolarHBondContact O-N 2.81Å; V466-V613 HydrophobicContact CB-CG1 4.11Å; V466-V613 HydrophobicContact CG1-CG1 3.48Å; V466-V613 VanDerWaalsContact CG1-CG1 3.48Å; V466-A616 HydrophobicContact CG1-CB 4.4Å; V466-T623 HydrophobicContact CB-CG2 4.49Å; V466-T623 HydrophobicContact CG1-CG2 4.03Å; V466-T623 HydrophobicContact CG2-CG2 4.31Å
467L86.7Confident79.3Confident16 Ų1672.1 Ų72.18%0.08434%0.343CS..Hα-helixtrans-53-48.6177.8-179.961.9000112.1I463 Y464 G469 F470 Q471 Y609 L612 V613I463-L467 PolarHBondContact O-N 2.68Å; Y464-L467 PolarHBondContact O-N 3.46Å; L467-G469 PolarHBondContact O-N 2.76Å; L467-F470 PolarHBondContact O-N 3.46Å; L467-Q471 HydrophobicContact CD1-CG 4.16Å; L467-Q471 HydrophobicContact CG-CG 4.4Å; L467-Q471 PolarHBondContact O-N 2.96Å; L467-Y609 HydrophobicContact CD2-CD1 4.07Å; L467-Y609 HydrophobicContact CD2-CG 4.4Å; L467-L612 HydrophobicContact CD1-CB 4.22Å; L467-L612 HydrophobicContact CD1-CD1 4.37Å; L467-V613 HydrophobicContact CB-CG2 3.74Å; L467-V613 HydrophobicContact CD1-CG2 3.83Å; L467-V613 HydrophobicContact CG-CG2 4.35Å
468S83.6Confident77.9Confident17 Ų1775.7 Ų75.712%0.11937%0.365CS..Hα-helixtrans-57.5-33.6176.8-57.60000112.8Y464 V466Y464-S468 WeakPolarHBondContact O-CB 3.39Å; Y464-S468 PolarHBondContact O-N 3.14Å; Y464-S468 PolarHBondContact O-OG 3.37Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 3.49Å
469G77.4Confident76.7Confident23 Ų2382.3 Ų82.324%0.23740%0.396CS..Hα-helixtrans-75.7-19177.100000114.8R465 V466 L467 S472R465-G469 PolarHBondContact O-N 2.81Å; V466-G469 WeakPolarHBondContact O-CA 3.27Å; V466-G469 PolarHBondContact O-N 3.2Å; L467-G469 PolarHBondContact O-N 2.76Å; G469-S472 PolarHBondContact O-OG 3.36Å
470F76.7Confident75.8Confident115 Ų11583.7 Ų83.750%0.50440%0.404SS..Hα-helixtrans-103.7-20.4178.8-76.5-78.4000113.9V466 L467 S472 A616 P617V466-F470 HydrophobicContact CG1-CD2 3.82Å; V466-F470 HydrophobicContact CG1-CE2 3.73Å; V466-F470 VanDerWaalsContact O-CD2 3.31Å; V466-F470 WeakPolarHBondContact O-CD2 2.98Å; V466-F470 PolarHBondContact O-N 2.81Å; L467-F470 PolarHBondContact O-N 3.46Å; F470-S472 PolarHBondContact O-N 3.48Å; F470-A616 HydrophobicContact CD1-CB 4.46Å; F470-A616 HydrophobicContact CD2-CB 3.72Å; F470-A616 HydrophobicContact CE1-CB 4.16Å; F470-A616 HydrophobicContact CE2-CB 3.38Å; F470-A616 HydrophobicContact CG-CB 4.27Å; F470-A616 HydrophobicContact CZ-CB 3.62Å; F470-P617 HydrophobicContact CE1-CG 4.49Å; F470-P617 HydrophobicContact CZ-CG 4.35Å
471Q71.1Confident75.3Confident130 Ų13089.4 Ų89.461%0.60742%0.424SS*.SBendtrans-68.9-13.8172.9-76179.6-25.400113.6L467 R473L467-Q471 HydrophobicContact CD1-CG 4.16Å; L467-Q471 HydrophobicContact CG-CG 4.4Å; L467-Q471 PolarHBondContact O-N 2.96Å; Q471-R473 PolarHBondContact O-N 3.35Å
472S63.5Low74.8Confident35 Ų3591.6 Ų91.625%0.24544%0.435CS..  trans-68.990.5174.962.60000111.9G469 F470 K474G469-S472 PolarHBondContact O-OG 3.36Å; F470-S472 PolarHBondContact O-N 3.48Å; S472-K474 PolarHBondContact O-N 3.12Å; S472-K474 VanDerWaalsContact O-O 3.11Å
473R57.7Low74.6Confident259 Ų25998.4 Ų98.498%0.97746%0.464SS*.  trans-59.7-22.7170.4-73.3-173.5177-179.72.5113.3Q471Q471-R473 PolarHBondContact O-N 3.35Å
474K57.7Low74.5Confident176 Ų17699.5 Ų99.577%0.76547%0.47SS*.SBendtrans-83.2139.9171.2-61.8-178.7-178.7179.60109S472 H476S472-K474 PolarHBondContact O-N 3.12Å; S472-K474 VanDerWaalsContact O-O 3.11Å; K474-H476 PolarHBondContact O-N 3.15Å
475A58.9Low74.5Confident119 Ų11995.7 Ų95.798%0.98346%0.455SS*.SBendtrans-64.8-2.5-17600000115.5R477A475-R477 PolarHBondContact O-N 2.82Å
476H59.5Low74.6Confident149 Ų14995.5 Ų95.569%0.6946%0.46SS*.SBendtrans-82.5105.3173.9-177.8-76.8000110.6K474 V478K474-H476 PolarHBondContact O-N 3.15Å; H476-V478 PolarHBondContact O-N 3.02Å; H476-V478 VanDerWaalsContact O-N 3.1Å
477R60.2Low75Confident202 Ų20298.8 Ų98.876%0.76247%0.471SS*.  trans-56111.8176.3-173.9-179.2-169.8172.24.6110.2A475 H479A475-R477 PolarHBondContact O-N 2.82Å; R477-H479 PolarHBondContact O-N 3.35Å
478V66.4Low75.2Confident77 Ų77104 Ų10447%0.46749%0.491SS..  trans-67.9107.7177.5177.40000109.1H476 V480H476-V478 PolarHBondContact O-N 3.02Å; H476-V478 VanDerWaalsContact O-N 3.1Å; V478-V480 HydrophobicContact CG1-CG2 4.4Å; V478-V480 PolarHBondContact O-N 3.39Å; V478-V480 VanDerWaalsContact O-N 3.08Å
479H68.9Low75.7Confident139 Ų139103.3 Ų103.364%0.64449%0.485SS*.  trans-77.891.9176.3-17988.4000110R477 R481R477-H479 PolarHBondContact O-N 3.35Å; H479-R481 PolarHBondContact O-N 3.5Å; H479-R481 VanDerWaalsContact O-N 3.17Å
480V74.9Confident76.4Confident29 Ų29104 Ų10418%0.17649%0.492CS..  trans-68.6110.7170.2-1670000108.6V478 I485V478-V480 HydrophobicContact CG1-CG2 4.4Å; V478-V480 PolarHBondContact O-N 3.39Å; V478-V480 VanDerWaalsContact O-N 3.08Å; V480-I485 HydrophobicContact CB-CD1 4.23Å; V480-I485 HydrophobicContact CB-CG1 4.39Å; V480-I485 HydrophobicContact CG1-CD1 4.02Å; V480-I485 HydrophobicContact CG1-CG1 3.63Å
481R81.8Confident77.2Confident151 Ų151103.7 Ų103.757%0.5749%0.494SS*.  trans-64.3135.5-177.7-58.8-179.1-61.1-156.9-3.1110.6H479 K483 D484 I485H479-R481 PolarHBondContact O-N 3.5Å; H479-R481 VanDerWaalsContact O-N 3.17Å; R481-K483 PolarHBondContact O-N 2.99Å; R481-K483 VanDerWaalsContact O-N 3.08Å; R481-D484 IonicContact CZ-OD2 2.71Å; R481-D484 IonicContact NE-OD2 3.19Å; R481-D484 PolarHBondContact NE-OD2 2.02Å; R481-D484 IonicContact NH2-OD1 3.99Å; R481-D484 IonicContact NH2-OD2 3.57Å; R481-D484 PolarHBondContact NH2-OD2 3.43Å; R481-D484 PolarHBondContact O-N 3.29Å; R481-I485 PolarHBondContact O-N 3.18Å
482D82.7Confident78.3Confident58 Ų5899.9 Ų99.931%0.3148%0.475SS..Hα-helixtrans-60.2-24.1-179.4-67.8-71.2000113.9N411 R465 L486N411-D482 PolarHBondContact ND2-OD1 3.37Å; R465-D482 IonicContact CZ-OD1 3.74Å; R465-D482 IonicContact CZ-OD2 2.81Å; R465-D482 IonicContact NE-OD1 3.07Å; R465-D482 IonicContact NH1-OD1 2.89Å; R465-D482 IonicContact NH2-OD1 3.03Å; R465-D482 PolarHBondContact NH2-OD1 2.98Å; R465-D482 IonicContact NH2-OD2 2.75Å; R465-D482 PolarHBondContact NH2-OD2 3.11Å; D482-L486 WeakPolarHBondContact O-CB 3.09Å; D482-L486 PolarHBondContact O-N 2.9Å
483K86.5Confident79.8Confident161 Ų161100.1 Ų100.170%0.747%0.473SS*.Hα-helixtrans-64.7-37.5171.4-176.2172.3179174.90112.7R481 K487R481-K483 PolarHBondContact O-N 2.99Å; R481-K483 VanDerWaalsContact O-N 3.08Å; K483-K487 WeakPolarHBondContact O-CG 3.23Å; K483-K487 PolarHBondContact O-N 3.26Å
484D88.9Confident81.6Confident28 Ų2892.4 Ų92.415%0.1545%0.451CS..Hα-helixtrans-79.4-35.8-179.5-60.4-48.3000110.9R481 L486 K487 Y488R481-D484 IonicContact CZ-OD2 2.71Å; R481-D484 IonicContact NE-OD2 3.19Å; R481-D484 PolarHBondContact NE-OD2 2.02Å; R481-D484 IonicContact NH2-OD1 3.99Å; R481-D484 IonicContact NH2-OD2 3.57Å; R481-D484 PolarHBondContact NH2-OD2 3.43Å; R481-D484 PolarHBondContact O-N 3.29Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.34Å; D484-K487 WeakPolarHBondContact O-CB 3.07Å; D484-K487 PolarHBondContact O-N 2.76Å; D484-K487 WeakPolarHBondContact OD1-CE 3.45Å; D484-K487 IonicContact OD1-NZ 2.63Å; D484-K487 PolarHBondContact OD1-NZ 3.07Å; D484-Y488 WeakPolarHBondContact O-CD2 3.48Å; D484-Y488 PolarHBondContact O-N 3.45Å
485I88.2Confident83.3Confident1 Ų189.1 Ų89.11%0.00544%0.44CS..Hα-helixtrans-55.3-46168.4-62.8179.2000110.9L414 V461 R465 V480 R481 K487 Y488 L489L414-I485 HydrophobicContact CD1-CG2 4.28Å; V461-I485 HydrophobicContact CG1-CB 4.41Å; V461-I485 HydrophobicContact CG1-CG2 3.23Å; R465-I485 HydrophobicContact CB-CD1 4.09Å; R465-I485 HydrophobicContact CG-CD1 3.59Å; R465-I485 VanDerWaalsContact NE-CD1 3.34Å; V480-I485 HydrophobicContact CB-CD1 4.23Å; V480-I485 HydrophobicContact CB-CG1 4.39Å; V480-I485 HydrophobicContact CG1-CD1 4.02Å; V480-I485 HydrophobicContact CG1-CG1 3.63Å; R481-I485 PolarHBondContact O-N 3.18Å; I485-K487 PolarHBondContact O-N 2.93Å; I485-Y488 PolarHBondContact O-N 2.81Å; I485-L489 PolarHBondContact O-N 2.03Å
486L89.9Confident85Confident78 Ų7884.7 Ų84.741%0.40840%0.401SS..Hα-helixtrans-68.8-29.1178.7-173.360.4000113.2I417 D482 D484 L489 G490I417-L486 HydrophobicContact CD1-CD1 3.8Å; D482-L486 WeakPolarHBondContact O-CB 3.09Å; D482-L486 PolarHBondContact O-N 2.9Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.34Å; L486-L489 HydrophobicContact CD1-CD2 4.31Å; L486-G490 PolarHBondContact O-N 3.01Å
487K92.9Very high86.6Confident112 Ų11282.3 Ų82.349%0.48739%0.389SS..Hα-helixtrans-62.3-47.6171.8-70170.3-172.8166.40111.5K483 D484 I485 L489 G490 M491K483-K487 WeakPolarHBondContact O-CG 3.23Å; K483-K487 PolarHBondContact O-N 3.26Å; D484-K487 WeakPolarHBondContact O-CB 3.07Å; D484-K487 PolarHBondContact O-N 2.76Å; D484-K487 WeakPolarHBondContact OD1-CE 3.45Å; D484-K487 IonicContact OD1-NZ 2.63Å; D484-K487 PolarHBondContact OD1-NZ 3.07Å; I485-K487 PolarHBondContact O-N 2.93Å; K487-L489 VanDerWaalsContact C-N 3.3Å; K487-L489 PolarHBondContact O-N 2.8Å; K487-G490 PolarHBondContact O-N 2.67Å; K487-G490 VanDerWaalsContact O-N 3.15Å; K487-M491 WeakPolarHBondContact O-CG 3.37Å; K487-M491 PolarHBondContact O-N 2.81Å
488Y91.7Very high88.3Confident126 Ų12676.4 Ų76.449%0.49438%0.376SS..Hα-helixtrans-60.3-41.6179.9-66.4-65.2000111.6Y464 D484 I485 M491 F492Y464-Y488 HydrophobicContact CE1-CD2 4.32Å; Y464-Y488 HydrophobicContact CE1-CE2 4.2Å; D484-Y488 WeakPolarHBondContact O-CD2 3.48Å; D484-Y488 PolarHBondContact O-N 3.45Å; I485-Y488 PolarHBondContact O-N 2.81Å; Y488-M491 PolarHBondContact O-N 2.84Å; Y488-F492 PolarHBondContact O-N 3.39Å; Y488-F492 VanDerWaalsContact O-N 3.08Å
489L93.7Very high89.6Confident1 Ų176.2 Ų76.21%0.00537%0.367CS..Hα-helixtrans-63.1-44.6173.6-176.258.4000112.2L414 I417 G457 V458 V461 I485 L486 K487 F492 I493L414-L489 HydrophobicContact CD2-CD2 3.77Å; I417-L489 HydrophobicContact CD1-CD2 4.12Å; I417-L489 HydrophobicContact CG2-CD2 4.16Å; G457-L489 VanDerWaalsContact C-CD1 3.47Å; V458-L489 HydrophobicContact CG2-CD1 4.19Å; V458-L489 HydrophobicContact CG2-CD2 3.63Å; V461-L489 HydrophobicContact CG2-CB 4.19Å; V461-L489 HydrophobicContact CG2-CD1 4.45Å; I485-L489 PolarHBondContact O-N 2.03Å; L486-L489 HydrophobicContact CD1-CD2 4.31Å; K487-L489 VanDerWaalsContact C-N 3.3Å; K487-L489 PolarHBondContact O-N 2.8Å; L489-F492 PolarHBondContact O-N 2.93Å; L489-I493 HydrophobicContact CD1-CD1 3.95Å; L489-I493 HydrophobicContact CD1-CG1 4.45Å; L489-I493 HydrophobicContact CG-CD1 3.88Å; L489-I493 WeakPolarHBondContact O-CD1 3.41Å; L489-I493 WeakPolarHBondContact O-CG1 3.12Å; L489-I493 PolarHBondContact O-N 2.91Å
490G93.5Very high90.8Very high37 Ų3769.8 Ų69.838%0.38134%0.337SS..Hα-helixtrans-62.4-40.8177.300000113.3L486 K487 I493 L494L486-G490 PolarHBondContact O-N 3.01Å; K487-G490 PolarHBondContact O-N 2.67Å; K487-G490 VanDerWaalsContact O-N 3.15Å; G490-I493 PolarHBondContact O-N 2.83Å; G490-L494 VanDerWaalsContact O-CB 3.29Å; G490-L494 WeakPolarHBondContact O-CB 3.1Å; G490-L494 PolarHBondContact O-N 3.34Å
491M93.5Very high91.7Very high109 Ų10972.5 Ų72.554%0.53735%0.35SS..Hα-helixtrans-64.5-41.9174.8-69.9-55.4-57.300112K487 Y488 L494 I495K487-M491 WeakPolarHBondContact O-CG 3.37Å; K487-M491 PolarHBondContact O-N 2.81Å; Y488-M491 PolarHBondContact O-N 2.84Å; M491-L494 PolarHBondContact O-N 3.19Å; M491-I495 WeakPolarHBondContact O-CD1 3.38Å; M491-I495 VanDerWaalsContact O-CG1 3.28Å; M491-I495 WeakPolarHBondContact O-CG1 3.49Å; M491-I495 PolarHBondContact O-N 3.23Å
492F92.7Very high92.3Very high50 Ų5067.7 Ų67.722%0.21934%0.343CS..Hα-helixtrans-62.1-43177.3-177.9-117.3000112.3S453 Y488 L489 T496 I602S453-F492 WeakPolarHBondContact O-CE1 3.33Å; S453-F492 WeakPolarHBondContact OG-CD1 3.35Å; S453-F492 WeakPolarHBondContact OG-CE1 3.45Å; Y488-F492 PolarHBondContact O-N 3.39Å; Y488-F492 VanDerWaalsContact O-N 3.08Å; L489-F492 PolarHBondContact O-N 2.93Å; F492-T496 PolarHBondContact O-N 2.9Å; F492-T496 PolarHBondContact O-OG1 3.2Å; F492-I602 HydrophobicContact CE2-CD1 4.09Å; F492-I602 HydrophobicContact CZ-CD1 4.17Å; F492-I602 HydrophobicContact CZ-CG2 4.33Å
493I94.9Very high92.7Very high40 Ų4065.5 Ų65.521%0.20533%0.33CS..Hα-helixtrans-70.2-35.8176.4-63.8161.2000111.5V454 L489 G490 T496 F497V454-I493 HydrophobicContact CG2-CD1 3.88Å; V454-I493 HydrophobicContact CG2-CG1 3.99Å; V454-I493 HydrophobicContact CG2-CG2 4.26Å; L489-I493 HydrophobicContact CD1-CD1 3.95Å; L489-I493 HydrophobicContact CD1-CG1 4.45Å; L489-I493 HydrophobicContact CG-CD1 3.88Å; L489-I493 WeakPolarHBondContact O-CD1 3.41Å; L489-I493 WeakPolarHBondContact O-CG1 3.12Å; L489-I493 PolarHBondContact O-N 2.91Å; G490-I493 PolarHBondContact O-N 2.83Å; I493-T496 PolarHBondContact O-N 3.47Å; I493-T496 PolarHBondContact O-OG1 2.95Å; I493-F497 VanDerWaalsContact O-CB 3.27Å; I493-F497 WeakPolarHBondContact O-CB 3.44Å; I493-F497 PolarHBondContact O-N 3.36Å
494L95.6Very high93Very high97 Ų9759.3 Ų59.351%0.50831%0.306SS..Hα-helixtrans-65.2-41.6177.4-175.6148.8000111.5G490 M491 T496 F497 T498G490-L494 VanDerWaalsContact O-CB 3.29Å; G490-L494 WeakPolarHBondContact O-CB 3.1Å; G490-L494 PolarHBondContact O-N 3.34Å; M491-L494 PolarHBondContact O-N 3.19Å; L494-T496 PolarHBondContact O-N 3.16Å; L494-F497 PolarHBondContact O-N 3.32Å; L494-T498 WeakPolarHBondContact O-CB 3.27Å; L494-T498 PolarHBondContact O-N 3.39Å; L494-T498 PolarHBondContact O-OG1 3.24Å; L494-T498 VanDerWaalsContact O-OG1 3.1Å
495I94.7Very high93.1Very high107 Ų10760.8 Ų60.855%0.54932%0.322SS..Hα-helixtrans-59.7-47.4176.8-69.7162.6000111M491 T498 Y499M491-I495 WeakPolarHBondContact O-CD1 3.38Å; M491-I495 VanDerWaalsContact O-CG1 3.28Å; M491-I495 WeakPolarHBondContact O-CG1 3.49Å; M491-I495 PolarHBondContact O-N 3.23Å; I495-T498 PolarHBondContact O-N 3.08Å; I495-Y499 WeakPolarHBondContact O-CB 3.08Å; I495-Y499 PolarHBondContact O-N 3.21Å
496T93Very high93.1Very high26 Ų2664.4 Ų64.416%0.1634%0.34CS..Hα-helixtrans-69.3-37.2179.854.80000112.2S453 F492 I493 L494 Y499 M500S453-T496 WeakPolarHBondContact CB-OG1 3.3Å; S453-T496 WeakPolarHBondContact OG-CG2 3.4Å; S453-T496 PolarHBondContact OG-OG1 2.89Å; F492-T496 PolarHBondContact O-N 2.9Å; F492-T496 PolarHBondContact O-OG1 3.2Å; I493-T496 PolarHBondContact O-N 3.47Å; I493-T496 PolarHBondContact O-OG1 2.95Å; L494-T496 PolarHBondContact O-N 3.16Å; T496-Y499 PolarHBondContact O-N 2.88Å; T496-M500 WeakPolarHBondContact O-CG 3.05Å; T496-M500 PolarHBondContact O-N 3.16Å
497F94.9Very high93Very high99 Ų9961.1 Ų61.143%0.43432%0.323SS..Hα-helixtrans-64-46174.4-163.7-91.7000112W446 V450 I493 L494 Y499 M500 I501W446-F497 HydrophobicContact CH2-CE2 4.31Å; W446-F497 HydrophobicContact CH2-CZ 4.3Å; W446-F497 AromaticContact CZ3-CD2 3.73Å; W446-F497 HydrophobicContact CZ3-CD2 3.73Å; W446-F497 AromaticContact CZ3-CE2 3.6Å; W446-F497 HydrophobicContact CZ3-CE2 3.6Å; W446-F497 HydrophobicContact CZ3-CG 4.27Å; W446-F497 HydrophobicContact CZ3-CZ 4.04Å; V450-F497 HydrophobicContact CG2-CD2 4.48Å; I493-F497 VanDerWaalsContact O-CB 3.27Å; I493-F497 WeakPolarHBondContact O-CB 3.44Å; I493-F497 PolarHBondContact O-N 3.36Å; L494-F497 PolarHBondContact O-N 3.32Å; F497-Y499 VanDerWaalsContact C-N 3.34Å; F497-Y499 PolarHBondContact O-N 3.12Å; F497-M500 PolarHBondContact O-N 3.02Å; F497-I501 HydrophobicContact CD1-CD1 3.87Å; F497-I501 HydrophobicContact CD1-CG1 4.32Å; F497-I501 HydrophobicContact CE1-CD1 3.84Å; F497-I501 HydrophobicContact CE1-CG1 4.31Å; F497-I501 WeakPolarHBondContact O-CG1 3.3Å; F497-I501 PolarHBondContact O-N 2.03Å
498T95.3Very high92.6Very high78 Ų7860.5 Ų60.548%0.47933%0.325SS..Hα-helixtrans-62.8-39.3176-62.30000112.1L494 I495 I501 A502L494-T498 WeakPolarHBondContact O-CB 3.27Å; L494-T498 PolarHBondContact O-N 3.39Å; L494-T498 PolarHBondContact O-OG1 3.24Å; L494-T498 VanDerWaalsContact O-OG1 3.1Å; I495-T498 PolarHBondContact O-N 3.08Å; T498-I501 PolarHBondContact O-N 3.36Å; T498-A502 PolarHBondContact O-N 3.49Å; T498-A502 VanDerWaalsContact O-N 3.08Å
499Y93.6Very high92.2Very high74 Ų7458.9 Ų58.929%0.2932%0.324SS..Hα-helixtrans-61.6-43.8173.3171.7-111.1000112.2I495 T496 F497 I501 A502 W503 V595I495-Y499 WeakPolarHBondContact O-CB 3.08Å; I495-Y499 PolarHBondContact O-N 3.21Å; T496-Y499 PolarHBondContact O-N 2.88Å; F497-Y499 VanDerWaalsContact C-N 3.34Å; F497-Y499 PolarHBondContact O-N 3.12Å; Y499-I501 PolarHBondContact O-N 2.93Å; Y499-A502 PolarHBondContact O-N 2.92Å; Y499-W503 WeakPolarHBondContact O-CB 3.39Å; Y499-W503 PolarHBondContact O-N 3.41Å; Y499-V595 HydrophobicContact CE1-CG2 3.58Å; Y499-V595 WeakPolarHBondContact OH-CG2 3.36Å
500M93.6Very high91.4Very high3 Ų365.1 Ų65.12%0.01535%0.349CS..Hα-helixtrans-62.8-37.7175.6-71.4-73.497.200113.1P445 W446 E449 V450 T496 F497 T504P445-M500 HydrophobicContact CB-SD 4.48Å; W446-M500 HydrophobicContact CD2-CB 3.76Å; W446-M500 HydrophobicContact CD2-CG 4.28Å; W446-M500 HydrophobicContact CE3-CB 3.71Å; W446-M500 HydrophobicContact CE3-CG 4.18Å; W446-M500 HydrophobicContact CG-SD 4.41Å; W446-M500 HydrophobicContact CH2-CB 3.65Å; W446-M500 HydrophobicContact CZ2-CB 3.69Å; W446-M500 HydrophobicContact CZ3-CB 3.65Å; W446-M500 HydrophobicContact CZ3-CG 4.47Å; E449-M500 HydrophobicContact CB-CE 4.15Å; E449-M500 HydrophobicContact CB-CG 4.21Å; E449-M500 HydrophobicContact CB-SD 3.8Å; E449-M500 HydrophobicContact CG-CE 3.64Å; E449-M500 HydrophobicContact CG-SD 3.74Å; V450-M500 HydrophobicContact CG2-CG 4.42Å; T496-M500 WeakPolarHBondContact O-CG 3.05Å; T496-M500 PolarHBondContact O-N 3.16Å; F497-M500 PolarHBondContact O-N 3.02Å; M500-T504 WeakPolarHBondContact O-CB 3.45Å; M500-T504 PolarHBondContact O-N 3.12Å; M500-T504 PolarHBondContact O-OG1 2.78Å
501I94.8Very high90.4Very high87 Ų8765.3 Ų65.345%0.44634%0.341SS..Hα-helixtrans-60.1-51171.8-62.8171.8000110.3W446 F497 T498 Y499 W503 T504 A505W446-I501 HydrophobicContact CH2-CG1 3.79Å; W446-I501 HydrophobicContact CZ2-CG1 4.27Å; F497-I501 HydrophobicContact CD1-CD1 3.87Å; F497-I501 HydrophobicContact CD1-CG1 4.32Å; F497-I501 HydrophobicContact CE1-CD1 3.84Å; F497-I501 HydrophobicContact CE1-CG1 4.31Å; F497-I501 WeakPolarHBondContact O-CG1 3.3Å; F497-I501 PolarHBondContact O-N 2.03Å; T498-I501 PolarHBondContact O-N 3.36Å; Y499-I501 PolarHBondContact O-N 2.93Å; I501-W503 PolarHBondContact O-N 3.33Å; I501-T504 WeakPolarHBondContact O-CB 3.44Å; I501-T504 PolarHBondContact O-N 2.84Å; I501-T504 VanDerWaalsContact O-N 3.16Å; I501-A505 PolarHBondContact O-N 2.85Å
502A93.8Very high89.5Confident50 Ų5063.2 Ų63.241%0.41334%0.337SS..Hα-helixtrans-61.6-45.9-177.300000112T498 Y499 T504 A505 I506T498-A502 PolarHBondContact O-N 3.49Å; T498-A502 VanDerWaalsContact O-N 3.08Å; Y499-A502 PolarHBondContact O-N 2.92Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 3.49Å; A502-A505 PolarHBondContact O-N 3.46Å; A502-I506 WeakPolarHBondContact O-CD1 3.47Å; A502-I506 VanDerWaalsContact O-CG1 3.28Å; A502-I506 WeakPolarHBondContact O-CG1 3.39Å; A502-I506 PolarHBondContact O-N 3.1Å; A502-I506 VanDerWaalsContact O-N 3.09Å
503W92Very high88Confident12 Ų1266 Ų665%0.04535%0.354CS..Hα-helixtrans-59.1-40.4174.1176.992.5000112.1L442 P445 Y499 I501 N507 M536 M589L442-W503 HydrophobicContact CD2-CE3 4.46Å; L442-W503 HydrophobicContact CD2-CH2 4.02Å; L442-W503 HydrophobicContact CD2-CZ3 3.67Å; P445-W503 HydrophobicContact CB-CH2 4.04Å; P445-W503 HydrophobicContact CB-CZ2 4.4Å; P445-W503 HydrophobicContact CB-CZ3 4.32Å; P445-W503 HydrophobicContact CG-CH2 3.67Å; P445-W503 HydrophobicContact CG-CZ2 3.99Å; P445-W503 HydrophobicContact CG-CZ3 4.39Å; Y499-W503 WeakPolarHBondContact O-CB 3.39Å; Y499-W503 PolarHBondContact O-N 3.41Å; I501-W503 PolarHBondContact O-N 3.33Å; W503-N507 VanDerWaalsContact CE2-ND2 3.33Å; W503-N507 PolarHBondContact NE1-ND2 3.4Å; W503-N507 PolarHBondContact O-N 3.23Å; W503-N507 PolarHBondContact O-ND2 2.95Å; W503-M536 HydrophobicContact CH2-CE 4.03Å; W503-M536 HydrophobicContact CZ2-CE 4.27Å; W503-M589 HydrophobicContact CZ2-CE 3.61Å
504T92.2Very high86.1Confident31 Ų3166.1 Ų66.119%0.1936%0.359CS..Hα-helixtrans-66.3-45178.1-57.90000111.9L442 W446 M500 I501 A502 I506 N507 L508L442-T504 HydrophobicContact CD2-CG2 4.32Å; W446-T504 PolarHBondContact NE1-OG1 3.27Å; M500-T504 WeakPolarHBondContact O-CB 3.45Å; M500-T504 PolarHBondContact O-N 3.12Å; M500-T504 PolarHBondContact O-OG1 2.78Å; I501-T504 WeakPolarHBondContact O-CB 3.44Å; I501-T504 PolarHBondContact O-N 2.84Å; I501-T504 VanDerWaalsContact O-N 3.16Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 3.49Å; T504-I506 VanDerWaalsContact C-N 3.35Å; T504-I506 PolarHBondContact O-N 2.68Å; T504-N507 PolarHBondContact O-N 3.08Å; T504-L508 WeakPolarHBondContact O-CB 3.27Å; T504-L508 PolarHBondContact O-N 3.41Å
505A91.2Very high83.7Confident59 Ų5965.6 Ų65.649%0.48836%0.361SS..Hα-helixtrans-61-44.1178.800000111.7I501 A502 L508 D509I501-A505 PolarHBondContact O-N 2.85Å; A502-A505 PolarHBondContact O-N 3.46Å; A505-L508 PolarHBondContact O-N 3.07Å; A505-D509 PolarHBondContact O-N 3.44Å; A505-D509 VanDerWaalsContact O-N 3.07Å
506I88.1Confident81.2Confident76 Ų7671.1 Ų71.139%0.3938%0.375SS..Hα-helixtrans-60.7-46.1176.1-68.7165.3000111.2A502 T504 Y510A502-I506 WeakPolarHBondContact O-CD1 3.47Å; A502-I506 VanDerWaalsContact O-CG1 3.28Å; A502-I506 WeakPolarHBondContact O-CG1 3.39Å; A502-I506 PolarHBondContact O-N 3.1Å; A502-I506 VanDerWaalsContact O-N 3.09Å; T504-I506 VanDerWaalsContact C-N 3.35Å; T504-I506 PolarHBondContact O-N 2.68Å; I506-Y510 HydrophobicContact CG2-CD2 3.92Å; I506-Y510 HydrophobicContact CG2-CE2 3.53Å; I506-Y510 WeakPolarHBondContact O-CD2 3.47Å; I506-Y510 PolarHBondContact O-N 2.66Å
507N86.4Confident78.7Confident10 Ų1076.2 Ų76.25%0.05340%0.4CS..Hα-helixtrans-68.8-36179.5-80.4-82.8000113L442 W503 T504 Y510 I511 M536 M589L442-N507 HydrophobicContact CD2-CB 3.91Å; W503-N507 VanDerWaalsContact CE2-ND2 3.33Å; W503-N507 PolarHBondContact NE1-ND2 3.4Å; W503-N507 PolarHBondContact O-N 3.23Å; W503-N507 PolarHBondContact O-ND2 2.95Å; T504-N507 PolarHBondContact O-N 3.08Å; N507-Y510 PolarHBondContact O-N 2.96Å; N507-I511 WeakPolarHBondContact O-CG1 3.07Å; N507-I511 PolarHBondContact O-N 3.38Å; N507-I511 VanDerWaalsContact O-N 3.12Å; N507-M536 HydrophobicContact CB-CE 4.17Å; N507-M536 HydrophobicContact CB-SD 4.13Å; N507-M589 VanDerWaalsContact OD1-CE 3.32Å; N507-M589 WeakPolarHBondContact OD1-CE 3.07Å; N507-M589 PolarHBondContact OD1-SD 2.87Å
508L85.7Confident76Confident99 Ų9981.1 Ų81.152%0.51842%0.416SS..Hα-helixtrans-68.5-36.7178.5-170.163.8000112T504 A505 I511 S512T504-L508 WeakPolarHBondContact O-CB 3.27Å; T504-L508 PolarHBondContact O-N 3.41Å; A505-L508 PolarHBondContact O-N 3.07Å; L508-I511 PolarHBondContact O-N 3.26Å; L508-S512 WeakPolarHBondContact O-CB 3.1Å; L508-S512 PolarHBondContact O-N 2.98Å
509D83.6Confident73.2Confident91 Ų9183.7 Ų83.749%0.48743%0.426SS..Hα-helixtrans-62.8-45.6171.9-17859.3000111.6A505 I511 S512 N513A505-D509 PolarHBondContact O-N 3.44Å; A505-D509 VanDerWaalsContact O-N 3.07Å; D509-I511 VanDerWaalsContact C-N 3.28Å; D509-I511 PolarHBondContact O-N 3.21Å; D509-S512 PolarHBondContact O-N 3.02Å; D509-S512 VanDerWaalsContact O-N 3.14Å; D509-N513 PolarHBondContact O-N 2.86Å; D509-N513 PolarHBondContact O-ND2 2.04Å; D509-N513 PolarHBondContact OD1-ND2 3.2Å; D509-N513 PolarHBondContact OD2-ND2 3.26Å
510Y76Confident70.7Confident133 Ų13386.4 Ų86.452%0.52245%0.446SS..Hα-helixtrans-59-35.2174.3-77.3-57.6000113.7I506 N507I506-Y510 HydrophobicContact CG2-CD2 3.92Å; I506-Y510 HydrophobicContact CG2-CE2 3.53Å; I506-Y510 WeakPolarHBondContact O-CD2 3.47Å; I506-Y510 PolarHBondContact O-N 2.66Å; N507-Y510 PolarHBondContact O-N 2.96Å
511I73.6Confident68Low40 Ų4093.7 Ų93.721%0.20549%0.485CS..Hα-helixtrans-71-46.6173.4-63.2160.9000110.6D438 N507 L508 D509 N513 S514 M536D438-I511 HydrophobicContact CB-CD1 4.34Å; N507-I511 WeakPolarHBondContact O-CG1 3.07Å; N507-I511 PolarHBondContact O-N 3.38Å; N507-I511 VanDerWaalsContact O-N 3.12Å; L508-I511 PolarHBondContact O-N 3.26Å; D509-I511 VanDerWaalsContact C-N 3.28Å; D509-I511 PolarHBondContact O-N 3.21Å; I511-N513 PolarHBondContact O-N 2.86Å; I511-S514 WeakPolarHBondContact O-CB 3.46Å; I511-S514 PolarHBondContact O-N 2.91Å; I511-S514 VanDerWaalsContact O-N 3.15Å; I511-S514 PolarHBondContact O-OG 2.68Å; I511-M536 HydrophobicContact CD1-CG 3.87Å; I511-M536 HydrophobicContact CD1-SD 3.8Å; I511-M536 HydrophobicContact CG1-CG 4.11Å
512S73.5Confident65.2Low65 Ų6594.4 Ų94.446%0.45550%0.497SS..Hα-helixtrans-67.2-23.4-174.3-168.20000113.6L508 D509 S514L508-S512 WeakPolarHBondContact O-CB 3.1Å; L508-S512 PolarHBondContact O-N 2.98Å; D509-S512 PolarHBondContact O-N 3.02Å; D509-S512 VanDerWaalsContact O-N 3.14Å; S512-S514 PolarHBondContact O-N 2.93Å
513N61.6Low62.3Low108 Ų10898.6 Ų98.658%0.57851%0.51SS*.THydrogen-bonded Turntrans-8513.1175.9-68.9-48000113.6D509 I511D509-N513 PolarHBondContact O-N 2.86Å; D509-N513 PolarHBondContact O-ND2 2.04Å; D509-N513 PolarHBondContact OD1-ND2 3.2Å; D509-N513 PolarHBondContact OD2-ND2 3.26Å; I511-N513 PolarHBondContact O-N 2.86Å
514S55.6Low59.7Low44 Ų44106.9 Ų106.931%0.30855%0.552SS.*SBendtrans-76.3124.2166.757.20000110.7I511 S512 W516I511-S514 WeakPolarHBondContact O-CB 3.46Å; I511-S514 PolarHBondContact O-N 2.91Å; I511-S514 VanDerWaalsContact O-N 3.15Å; I511-S514 PolarHBondContact O-OG 2.68Å; S512-S514 PolarHBondContact O-N 2.93Å; S514-W516 PolarHBondContact O-N 3.46Å
515P44.9Very low57.1Low86 Ų86112 Ų11256%0.55858%0.578SS**  trans-68.8124.6-175.626.4-33.7000110.9I517P515-I517 PolarHBondContact O-N 2.77Å
516W41.7Very low54.5Low222 Ų222115.4 Ų115.484%0.84159%0.588SS**  trans-69.913.8-179.123.570.5000115.1S514 R518S514-W516 PolarHBondContact O-N 3.46Å; W516-R518 PolarHBondContact O-N 3.02Å
517I39.8Very low51.9Low133 Ų133123.5 Ų123.568%0.68261%0.614SS**  trans-83.295.6177.6-54.1176000108.5P515 D519P515-I517 PolarHBondContact O-N 2.77Å; I517-D519 HydrophobicContact CG2-CB 4.49Å
518R38.1Very low49.6Very low203 Ų203130.6 Ų130.677%0.76665%0.647SS**  trans-117.952.9163.8-159.5-165.9-62.1-145.7-0.7110.9W516 D520W516-R518 PolarHBondContact O-N 3.02Å; R518-D520 VanDerWaalsContact C-N 3.3Å; R518-D520 WeakPolarHBondContact CD-OD2 3.2Å; R518-D520 VanDerWaalsContact CG-OD2 3.3Å; R518-D520 WeakPolarHBondContact CG-OD2 3.36Å; R518-D520 PolarHBondContact O-N 3.44Å
519D38.3Very low47Very low131 Ų131131.1 Ų131.170%0.70166%0.659SS**  trans-81.480.1165.2-68.5-54.2000108.8I517 N521I517-D519 HydrophobicContact CG2-CB 4.49Å; D519-N521 PolarHBondContact O-N 2.71Å
520D39.3Very low45Very low131 Ų131133.4 Ų133.470%0.70168%0.675SS**  trans-70.359.9177.7-71.3-40.1000111.4R518R518-D520 VanDerWaalsContact C-N 3.3Å; R518-D520 WeakPolarHBondContact CD-OD2 3.2Å; R518-D520 VanDerWaalsContact CG-OD2 3.3Å; R518-D520 WeakPolarHBondContact CG-OD2 3.36Å; R518-D520 PolarHBondContact O-N 3.44Å
521N37.4Very low43.2Very low156 Ų156131.7 Ų131.783%0.83468%0.679SS**  trans-150.329.3-175.9-98.7-46.4000113.8D519D519-N521 PolarHBondContact O-N 2.71Å
522S36Very low41.7Very low102 Ų102135.1 Ų135.171%0.71370%0.704SS**  trans-151.2157.9167.773.40000114.6
523M33.2Very low40.7Very low138 Ų138138.1 Ų138.168%0.6871%0.713SS**  trans65.176.3164.1-55.7-165.971.100118.9N525 N526M523-N525 WeakPolarHBondContact CE-O 3.5Å; M523-N526 HydrophobicContact CE-CB 4.37Å
524M37.2Very low40.6Very low186 Ų186135.7 Ų135.792%0.91670%0.702SS**SBend-64.2150.5122.4-67.9-16884.500108.6
525N36.9Very low41.3Very low138 Ų138135.3 Ų135.374%0.73870%0.699SS**SBendtrans68.570.8-171.8-60.6-17.8000116.1M523M523-N525 WeakPolarHBondContact CE-O 3.5Å
526N36.9Very low42.9Very low132 Ų132131.8 Ų131.871%0.70668%0.676SS**  -166.5149.8104.3-101.9-29.7000114.4M523 Q528M523-N526 HydrophobicContact CE-CB 4.37Å; N526-Q528 PolarHBondContact O-N 2.75Å
527R34.1Very low44.7Very low245 Ų245124 Ų12493%0.92565%0.648SS**  trans-87.983172.2-68.4-177.1-176.3171.61.3110.6
528Q37.3Very low46.6Very low160 Ų160121.1 Ų121.175%0.74863%0.631SS**  trans-153.6128.6169.2-110.41435.200113.6N526 V530N526-Q528 PolarHBondContact O-N 2.75Å; Q528-V530 PolarHBondContact O-N 2.75Å
529S32.3Very low48.3Very low110 Ų110116.4 Ų116.477%0.76962%0.618SS**  trans39.867.6158.658.40000118T531S529-T531 PolarHBondContact O-N 2.9Å; S529-T531 VanDerWaalsContact O-N 3.17Å
530V40.4Very low49.9Very low138 Ų138110.3 Ų110.384%0.83659%0.586SS**  trans-68.7106.4151.5179.10000107.3Q528Q528-V530 PolarHBondContact O-N 2.75Å
531T37.9Very low51.4Low97 Ų97109.5 Ų109.560%0.59557%0.574SS**  trans-61.9129.8170.247.60000108.9S529 I533S529-T531 PolarHBondContact O-N 2.9Å; S529-T531 VanDerWaalsContact O-N 3.17Å; T531-I533 PolarHBondContact O-N 2.97Å; T531-I533 VanDerWaalsContact O-N 3.17Å
532P44Very low52.9Low112 Ų112103.4 Ų103.473%0.72754%0.541SS*.  trans-63.8121.7-177.526.2-33.9000109.8V534P532-V534 WeakPolarHBondContact O-CG2 3.12Å; P532-V534 PolarHBondContact O-N 3.13Å
533I51.8Low54.4Low128 Ų128104.1 Ų104.166%0.65653%0.531SS*.  trans-60.5112.7173.9-61.1173.3000107.4T531 S535T531-I533 PolarHBondContact O-N 2.97Å; T531-I533 VanDerWaalsContact O-N 3.17Å; I533-S535 PolarHBondContact O-N 3.41Å
534V60.3Low55.9Low58 Ų58101 Ų10135%0.35252%0.517SS..  trans-78.971.3-172.3-171.10000110.3P532P532-V534 WeakPolarHBondContact O-CG2 3.12Å; P532-V534 PolarHBondContact O-N 3.13Å
535S69.1Low56.9Low35 Ų3599.1 Ų99.125%0.24550%0.503CS..  trans-75.1152.8171.2-169.70000111.4I533 K537I533-S535 PolarHBondContact O-N 3.41Å; S535-K537 WeakPolarHBondContact OG-CB 3.4Å; S535-K537 PolarHBondContact OG-N 3.13Å
536M77.7Confident57.4Low12 Ų1297.7 Ų97.76%0.05949%0.491CS..SBendtrans-76.8-7.2163.2-67.9-164.380.300112.7C441 L442 W503 N507 I511 C586 R587 M589C441-M536 HydrophobicContact CB-CB 4.18Å; C441-M536 HydrophobicContact CB-CE 4.27Å; L442-M536 HydrophobicContact CD2-CE 3.86Å; L442-M536 HydrophobicContact CD2-SD 3.65Å; L442-M536 HydrophobicContact CG-CE 4.3Å; L442-M536 HydrophobicContact CG-SD 3.74Å; W503-M536 HydrophobicContact CH2-CE 4.03Å; W503-M536 HydrophobicContact CZ2-CE 4.27Å; N507-M536 HydrophobicContact CB-CE 4.17Å; N507-M536 HydrophobicContact CB-SD 4.13Å; I511-M536 HydrophobicContact CD1-CG 3.87Å; I511-M536 HydrophobicContact CD1-SD 3.8Å; I511-M536 HydrophobicContact CG1-CG 4.11Å; M536-C586 WeakPolarHBondContact O-CA 3.4Å; M536-R587 WeakPolarHBondContact O-CB 3.46Å; M536-R587 PolarHBondContact O-N 2.85Å; M536-M589 HydrophobicContact CE-CE 3.88Å
537K80.5Confident57.8Low59 Ų59100.3 Ų100.326%0.25750%0.496SS..EExtended strand (participates in β ladder)trans-91.5145.9171.7-58.6163.2-164.9139.70109.6V436 D438 S535 V585V436-K537 WeakPolarHBondContact O-CE 3.38Å; D438-K537 VanDerWaalsContact CG-NZ 3.3Å; D438-K537 WeakPolarHBondContact OD1-CE 3.48Å; D438-K537 IonicContact OD1-NZ 2.94Å; D438-K537 PolarHBondContact OD1-NZ 2.84Å; D438-K537 VanDerWaalsContact OD2-CE 3.28Å; D438-K537 WeakPolarHBondContact OD2-CE 3.28Å; D438-K537 IonicContact OD2-NZ 3.79Å; D438-K537 PolarHBondContact OD2-NZ 2.87Å; S535-K537 WeakPolarHBondContact OG-CB 3.4Å; S535-K537 PolarHBondContact OG-N 3.13Å; K537-V585 CarbonylContact C-O 3.43Å; K537-V585 WeakPolarHBondContact CA-O 3.48Å
538Q80.2Confident58Low72 Ų7294 Ų9434%0.33648%0.48SS..EExtended strand (participates in β ladder)trans-137.1139.9171.3-179.8170.1-16.300109V585 R587 Y649Q538-V585 PolarHBondContact N-O 3.3Å; Q538-V585 WeakPolarHBondContact O-CG2 3.17Å; Q538-V585 PolarHBondContact O-N 2.04Å; Q538-R587 HydrophobicContact CB-CB 4.04Å; Q538-R587 HydrophobicContact CB-CG 4.45Å; Q538-Y649 HydrophobicContact CB-CE1 4.35Å; Q538-Y649 HydrophobicContact CG-CE1 3.92Å; Q538-Y649 PolarHBondContact OE1-OH 3.48Å
539E74.4Confident57.9Low105 Ų10593.8 Ų93.849%0.49149%0.485SS..EExtended strand (participates in β ladder)trans-78.7126.5174.6-59.9-167145.900110.2R368 F583R368-E539 IonicContact CZ-OE1 2.71Å; R368-E539 IonicContact NH2-OE1 3.64Å; R368-E539 PolarHBondContact NH2-OE1 2.87Å; E539-F583 CarbonylContact C-O 3.59Å; E539-F583 WeakPolarHBondContact CA-O 3.1Å
540G70Confident58.2Low2 Ų296.3 Ų96.32%0.02148%0.484CS..EExtended strand (participates in β ladder)trans-97.4166.1161.300000110.5T582 F583G540-T582 WeakPolarHBondContact O-CA 3.38Å; G540-F583 PolarHBondContact N-O 3.25Å; G540-F583 WeakPolarHBondContact O-CD1 3.16Å; G540-F583 PolarHBondContact O-N 3.08Å
541Y71Confident57.8Low114 Ų11494.2 Ų94.245%0.44748%0.476SS..EExtended strand (participates in β ladder)trans-131.7147.9-178.155.2-99.4000111.1Y649 N650Y541-Y649 PolarHBondContact N-O 2.87Å; Y541-N650 VanDerWaalsContact CE2-OD1 3.32Å; Y541-N650 WeakPolarHBondContact CE2-OD1 3.42Å; Y541-N650 PolarHBondContact OH-OD1 2.94Å
542I69.6Low57.4Low29 Ų2996.8 Ų96.815%0.14949%0.486CS..EExtended strand (participates in β ladder)trans-123.9128.9172.8-49.9178.6000107.8V369 I544 M580 I581 F583 H652V369-I542 HydrophobicContact CG2-CD1 4.25Å; I542-I544 HydrophobicContact CG2-CG1 4.14Å; I542-M580 WeakPolarHBondContact O-CA 3.07Å; I542-I581 PolarHBondContact N-O 3.42Å; I542-I581 PolarHBondContact O-N 3Å; I542-F583 HydrophobicContact CD1-CD1 3.96Å; I542-F583 HydrophobicContact CD1-CE1 4.02Å; I542-F583 HydrophobicContact CG1-CD1 3.7Å; I542-F583 HydrophobicContact CG1-CE1 3.47Å; I542-F583 VanDerWaalsContact CG1-CE1 3.47Å; I542-H652 HydrophobicContact CD1-CB 3.72Å; I542-H652 VanDerWaalsContact CD1-CD2 3.49Å; I542-H652 WeakPolarHBondContact CD1-CD2 3.29Å
543K67.8Low56.8Low117 Ų11799.6 Ų99.651%0.50949%0.494SS..EExtended strand (participates in β ladder)trans-86.7113.7167.5-73173.1157.6-117.20108.7D578K543-D578 HydrophobicContact CB-CB 4.32Å; K543-D578 WeakPolarHBondContact CD-OD2 3.36Å; K543-D578 HydrophobicContact CG-CB 4.27Å; K543-D578 IonicContact NZ-OD2 2.68Å; K543-D578 PolarHBondContact NZ-OD2 3.47Å
544I64.7Low55.7Low72 Ų72102.5 Ų102.537%0.36951%0.505SS..EExtended strand (participates in β ladder)trans-100.6122.1173-58-172.7000108.1I542 K546 E579 I581I542-I544 HydrophobicContact CG2-CG1 4.14Å; I544-K546 PolarHBondContact O-N 3.19Å; I544-E579 HydrophobicContact CB-CB 4.43Å; I544-E579 PolarHBondContact N-O 3.17Å; I544-E579 PolarHBondContact O-N 3.33Å; I544-I581 HydrophobicContact CD1-CD1 3.57Å; I544-I581 HydrophobicContact CD1-CG1 4.09Å
545K57.4Low54.5Low146 Ų146107.5 Ų107.564%0.63552%0.524SS*.EExtended strand (participates in β ladder)trans-74.8118.5172-70.9-158169.2-146.60109.8F547K545-F547 PolarHBondContact O-N 3.33Å; K545-F547 VanDerWaalsContact O-N 3.16Å
546K47.1Very low52.8Low109 Ų109114.1 Ų114.147%0.47455%0.548SS..  trans-65.4110.5175.7-170.5178.1-165.6137.20111.1I544 N548 E579I544-K546 PolarHBondContact O-N 3.19Å; K546-N548 WeakPolarHBondContact CD-OD1 3.29Å; K546-N548 PolarHBondContact O-N 3.34Å; K546-E579 HydrophobicContact CB-CG 4.28Å; K546-E579 VanDerWaalsContact CD-OE1 3.29Å; K546-E579 WeakPolarHBondContact CD-OE1 3.35Å; K546-E579 WeakPolarHBondContact CE-OE1 3.48Å; K546-E579 IonicContact NZ-OE1 2.71Å; K546-E579 PolarHBondContact NZ-OE1 3.24Å; K546-E579 VanDerWaalsContact NZ-OE1 3.11Å
547F46.4Very low50.8Low186 Ų186120.6 Ų120.682%0.81658%0.583SS**  trans-77.5104.4164.4-105.7-89.3000108.8K545 N549K545-F547 PolarHBondContact O-N 3.33Å; K545-F547 VanDerWaalsContact O-N 3.16Å; F547-N549 VanDerWaalsContact C-N 3.3Å; F547-N549 PolarHBondContact O-N 3.47Å
548N38.5Very low48.6Very low112 Ų112123 Ų12360%0.59961%0.608SS**  trans-70.584.9173.3-81.1-8.5000110.5K546 Q550K546-N548 WeakPolarHBondContact CD-OD1 3.29Å; K546-N548 PolarHBondContact O-N 3.34Å; N548-Q550 PolarHBondContact O-N 3.49Å
549N35.6Very low46.6Very low156 Ų156127.8 Ų127.883%0.83463%0.628SS**  trans-72.256.7160.6-83.9-3.8000110.2F547F547-N549 VanDerWaalsContact C-N 3.3Å; F547-N549 PolarHBondContact O-N 3.47Å
550Q37.3Very low44.9Very low163 Ų163127.9 Ų127.976%0.76263%0.631SS**  trans-133.730.9-177.9-157.5163-5.400111.6N548N548-Q550 PolarHBondContact O-N 3.49Å
551S32.3Very low43.4Very low94 Ų94134 Ų13466%0.65766%0.664SS**  trans-64.6147.8148.248.50000109.1
552N30.1Very low41.8Very low151 Ų151135.6 Ų135.681%0.80768%0.68SS**SBendtrans77.158.1-178.1-43.1-37.8000117
553L31.2Very low40.4Very low172 Ų172143.1 Ų143.190%0.90171%0.714SS**  trans-161.346.4131.2-13477000116.1
554E29.4Very low38.7Very low188 Ų188143.9 Ų143.988%0.87973%0.729SS**  trans-119.9109.2165.2-73.1-165.6153.800111
555H33.5Very low37.6Very low164 Ų164147.7 Ų147.776%0.75975%0.749SS**  trans-166.8127.7157.7-125.8-70.6000111.2
556F34.9Very low36.4Very low173 Ų173149.5 Ų149.576%0.75976%0.759SS**  trans63.6132.3-178.5-57.2-90.9000114.8
557N35.4Very low35.8Very low148 Ų148151.6 Ų151.679%0.79178%0.775SS**  cis-146.4145.74.2-125.9-14.2000111.7
558S33.5Very low35.4Very low110 Ų110150.7 Ų150.777%0.76977%0.773SS**  trans-107.1169.4169.5-175.40000110
559K37.8Very low35Very low173 Ų173154.1 Ų154.175%0.75279%0.785SS**  trans111.9133.5-174.4-70.4-176151.3-81.30112.7
560D38.6Very low34.9Very low107 Ų107153.7 Ų153.757%0.57278%0.782SS**  cis-157.6165.3-1.4-105-29.1000111
561N39Very low34.6Very low130 Ų130154.1 Ų154.170%0.69579%0.785SS**  trans84117.4158.7-54.7-39.1000121.6
562N37.9Very low34.5Very low147 Ų147159.7 Ų159.779%0.78680%0.797SS**  trans60.4121.3134.8-49.2-11000118.9
563E39.2Very low34.6Very low187 Ų187156.2 Ų156.287%0.87479%0.785SS**  -144.4162.352.5-82-175.5139.200115
564T33.9Very low34.7Very low133 Ų133156.9 Ų156.982%0.81678%0.783SS**  trans-102.1115.6179.246.70000112.9
565I40Very low35Very low153 Ų153154.6 Ų154.679%0.78578%0.777SS**  trans-118.3120.8164.8-64178.7000109L567I565-L567 PolarHBondContact O-N 2.85Å
566H32.8Very low35.5Very low184 Ų184150.4 Ų150.485%0.85277%0.766SS**  trans-70.5121.7174.6-76.3-104.8000110.8
567L35.3Very low36.2Very low153 Ų153147.1 Ų147.180%0.80176%0.756SS**  trans-149.4118.1155.8-105.6175.3000111.4I565I565-L567 PolarHBondContact O-N 2.85Å
568H37.5Very low37.1Very low167 Ų167142.2 Ų142.277%0.77373%0.729SS**  trans33.3110.9165.3-89.9-84.4000120.8N570H568-N570 PolarHBondContact O-N 3.44Å
569E30.3Very low38.3Very low183 Ų183138.2 Ų138.286%0.85570%0.698SS**  trans-48.5123.9148.7177.9179.2-162.700111.5
570N33Very low39.3Very low147 Ų147134 Ų13479%0.78668%0.682SS**  trans-153.3135.3154.9-104.6-36.9000108.9H568 F572H568-N570 PolarHBondContact O-N 3.44Å; N570-F572 PolarHBondContact O-N 3.33Å
571Q32Very low40.6Very low173 Ų173130 Ų13081%0.80866%0.661SS**  trans-46122.9-163.9-65167.3-49.500114.9S573Q571-S573 PolarHBondContact O-N 3.35Å
572F29.4Very low42Very low211 Ų211124.3 Ų124.393%0.92563%0.631SS**  trans-7477.1166.5-165-91.2000109.3N570N570-F572 PolarHBondContact O-N 3.33Å
573S31.5Very low43.8Very low77 Ų77117.6 Ų117.654%0.53859%0.594SS.*  trans-71.5134.9167.5-69.50000109.6Q571 D575Q571-S573 PolarHBondContact O-N 3.35Å; S573-D575 PolarHBondContact O-N 3.32Å
574E32.8Very low45.7Very low186 Ų186111.7 Ų111.787%0.86957%0.567SS**  trans-7766.5-178.4-163.9175.5178.200110.6S576E574-S576 PolarHBondContact O-N 2.71Å
575D36Very low48.1Very low141 Ų141105.9 Ų105.975%0.75453%0.531SS*.  trans-66.891.9-179.2-92.9-7.2000110.3S573 I577S573-D575 PolarHBondContact O-N 3.32Å; D575-I577 PolarHBondContact O-N 2.96Å
576S44.3Very low50.3Low75 Ų7599.6 Ų99.652%0.52450%0.501SS..  trans-57109.9167.565.40000108.6E574 D578E574-S576 PolarHBondContact O-N 2.71Å; S576-D578 PolarHBondContact O-N 3.34Å
577I50Low52.8Low105 Ų10596.1 Ų96.154%0.53848%0.48SS..  trans-62.897.7-175.4-59.7170.2000109.3I356 D575 E579I356-I577 HydrophobicContact CD1-CG2 3.59Å; D575-I577 PolarHBondContact O-N 2.96Å; I577-E579 PolarHBondContact O-N 3.45Å
578D54.4Low54.8Low44 Ų4490.5 Ų90.524%0.23546%0.456CS..EExtended strand (participates in β ladder)trans-66.1108.6172.6-84.2-19.2000108.5K543 S576 M580K543-D578 HydrophobicContact CB-CB 4.32Å; K543-D578 WeakPolarHBondContact CD-OD2 3.36Å; K543-D578 HydrophobicContact CG-CB 4.27Å; K543-D578 IonicContact NZ-OD2 2.68Å; K543-D578 PolarHBondContact NZ-OD2 3.47Å; S576-D578 PolarHBondContact O-N 3.34Å; D578-M580 PolarHBondContact O-N 3.46Å
579E58.8Low56.8Low27 Ų2784.5 Ų84.513%0.12643%0.428CS..EExtended strand (participates in β ladder)trans-72.5118.1175.4-52.7-167.3161.400108.3I356 I544 K546 I577I356-E579 HydrophobicContact CB-CG 4.4Å; I356-E579 HydrophobicContact CG2-CB 4.36Å; I356-E579 VanDerWaalsContact CG2-CD 3.48Å; I356-E579 HydrophobicContact CG2-CG 3.64Å; I356-E579 VanDerWaalsContact CG2-OE1 3.22Å; I356-E579 WeakPolarHBondContact CG2-OE1 3.49Å; I544-E579 HydrophobicContact CB-CB 4.43Å; I544-E579 PolarHBondContact N-O 3.17Å; I544-E579 PolarHBondContact O-N 3.33Å; K546-E579 HydrophobicContact CB-CG 4.28Å; K546-E579 VanDerWaalsContact CD-OE1 3.29Å; K546-E579 WeakPolarHBondContact CD-OE1 3.35Å; K546-E579 WeakPolarHBondContact CE-OE1 3.48Å; K546-E579 IonicContact NZ-OE1 2.71Å; K546-E579 PolarHBondContact NZ-OE1 3.24Å; K546-E579 VanDerWaalsContact NZ-OE1 3.11Å; I577-E579 PolarHBondContact O-N 3.45Å
580M59.1Low59.2Low84 Ų8480.7 Ų80.741%0.41442%0.422SS..EExtended strand (participates in β ladder)trans-96.3118.3-179.1-62.2-165.9-160.800110.9L366 I542 D578L366-M580 HydrophobicContact CD2-CB 4.46Å; I542-M580 WeakPolarHBondContact O-CA 3.07Å; D578-M580 PolarHBondContact O-N 3.46Å
581I65.2Low61.6Low24 Ų2479.7 Ų79.712%0.12341%0.408CS..EExtended strand (participates in β ladder)trans-116.8133.9176.2-43.5-168.3000108.9C367 V369 I542 I544C367-I581 HydrophobicContact CB-CG2 4.5Å; C367-I581 WeakPolarHBondContact O-CG2 3.44Å; V369-I581 HydrophobicContact CB-CG2 4.13Å; V369-I581 HydrophobicContact CG2-CB 3.96Å; V369-I581 HydrophobicContact CG2-CG2 3.42Å; V369-I581 VanDerWaalsContact CG2-CG2 3.42Å; I542-I581 PolarHBondContact N-O 3.42Å; I542-I581 PolarHBondContact O-N 3Å; I544-I581 HydrophobicContact CD1-CD1 3.57Å; I544-I581 HydrophobicContact CD1-CG1 4.09Å
582T69.7Low64.2Low10 Ų1072.6 Ų72.66%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-96.3154.8-176.556.80000112.4L366 C367 R368 V369 G540L366-T582 HydrophobicContact CB-CG2 3.8Å; L366-T582 HydrophobicContact CD1-CG2 3.63Å; L366-T582 HydrophobicContact CG-CG2 4.36Å; C367-T582 PolarHBondContact O-N 3.3Å; C367-T582 PolarHBondContact O-OG1 3.22Å; R368-T582 CarbonylContact C-O 3.55Å; R368-T582 VanDerWaalsContact CA-O 3.29Å; R368-T582 WeakPolarHBondContact CA-O 3.4Å; V369-T582 PolarHBondContact N-O 3.39Å; G540-T582 WeakPolarHBondContact O-CA 3.38Å
583F75.6Confident67Low5 Ų566.1 Ų66.12%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-145.4147.2174.863-83.7000109.9V369 E539 G540 I542 V585 V651 P653V369-F583 HydrophobicContact CG2-CB 4.35Å; E539-F583 CarbonylContact C-O 3.59Å; E539-F583 WeakPolarHBondContact CA-O 3.1Å; G540-F583 PolarHBondContact N-O 3.25Å; G540-F583 WeakPolarHBondContact O-CD1 3.16Å; G540-F583 PolarHBondContact O-N 3.08Å; I542-F583 HydrophobicContact CD1-CD1 3.96Å; I542-F583 HydrophobicContact CD1-CE1 4.02Å; I542-F583 HydrophobicContact CG1-CD1 3.7Å; I542-F583 HydrophobicContact CG1-CE1 3.47Å; I542-F583 VanDerWaalsContact CG1-CE1 3.47Å; F583-V585 HydrophobicContact CD2-CG1 3.81Å; F583-V585 HydrophobicContact CE2-CG1 3.61Å; F583-V585 HydrophobicContact CE2-CG2 4.48Å; F583-V651 VanDerWaalsContact CZ-O 3.31Å; F583-V651 WeakPolarHBondContact CZ-O 3.39Å; F583-P653 HydrophobicContact CB-CG 4.5Å; F583-P653 HydrophobicContact CD2-CB 4.49Å; F583-P653 HydrophobicContact CD2-CG 4.05Å; F583-P653 HydrophobicContact CG-CG 4.47Å
584E78.7Confident69.8Low63 Ų6366.2 Ų66.229%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-91132.2177.3-66176.313900110.5R368 V436R368-E584 VanDerWaalsContact CZ-CD 3.43Å; R368-E584 IonicContact CZ-OE1 2.66Å; R368-E584 IonicContact CZ-OE2 2.75Å; R368-E584 IonicContact NH1-OE1 3.58Å; R368-E584 PolarHBondContact NH1-OE1 2.88Å; R368-E584 IonicContact NH1-OE2 3.66Å; R368-E584 PolarHBondContact NH1-OE2 3.5Å; R368-E584 VanDerWaalsContact NH2-CD 3.3Å; R368-E584 IonicContact NH2-OE1 3.93Å; R368-E584 PolarHBondContact NH2-OE1 2.91Å; V436-E584 HydrophobicContact CG2-CB 3.4Å; V436-E584 VanDerWaalsContact CG2-CB 3.4Å; V436-E584 WeakPolarHBondContact CG2-O 3.38Å
585V83.5Confident72.6Confident11 Ų1158 Ų587%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-124.3162.6168.7-78.20000110.5K537 Q538 F583 R587 Y649K537-V585 CarbonylContact C-O 3.43Å; K537-V585 WeakPolarHBondContact CA-O 3.48Å; Q538-V585 PolarHBondContact N-O 3.3Å; Q538-V585 WeakPolarHBondContact O-CG2 3.17Å; Q538-V585 PolarHBondContact O-N 2.04Å; F583-V585 HydrophobicContact CD2-CG1 3.81Å; F583-V585 HydrophobicContact CE2-CG1 3.61Å; F583-V585 HydrophobicContact CE2-CG2 4.48Å; V585-R587 PolarHBondContact O-N 3.37Å; V585-Y649 HydrophobicContact CG2-CD1 4.14Å; V585-Y649 HydrophobicContact CG2-CE1 4.14Å
586C87.1Confident75.2Confident22 Ų2251.9 Ų51.915%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-63.5132164.4-59.40000109.5C441 M536 A588 W648C441-C586 WeakPolarHBondContact CA-SG 3.26Å; C441-C586 HydrophobicContact CB-CB 3.79Å; C441-C586 WeakPolarHBondContact CB-SG 3.42Å; C441-C586 VanDerWaalsContact SG-CA 3.52Å; C441-C586 WeakPolarHBondContact SG-CB 3.06Å; C441-C586 CovalentContact SG-SG 2.04Å; C441-C586 PolarHBondContact SG-SG 3.14Å; M536-C586 WeakPolarHBondContact O-CA 3.4Å; C586-A588 PolarHBondContact O-N 3.31Å; C586-W648 PolarHBondContact O-NE1 3.39Å
587R83.9Confident77.5Confident110 Ų11053.1 Ų53.142%0.41528%0.28SS..PPolyproline II helixtrans-61.8117.3178.2177171.8-176-176.70110.1M536 Q538 V585 M589M536-R587 WeakPolarHBondContact O-CB 3.46Å; M536-R587 PolarHBondContact O-N 2.85Å; Q538-R587 HydrophobicContact CB-CB 4.04Å; Q538-R587 HydrophobicContact CB-CG 4.45Å; V585-R587 PolarHBondContact O-N 3.37Å; R587-M589 PolarHBondContact O-N 2.98Å
588A77.9Confident79.5Confident35 Ų3550.2 Ų50.229%0.28927%0.271SS..PPolyproline II helixtrans-70.8130.5173.200000109.4C586 D592 Y649C586-A588 PolarHBondContact O-N 3.31Å; A588-D592 WeakPolarHBondContact CA-OD2 3.37Å; A588-Y649 WeakPolarHBondContact CB-OH 3.38Å; A588-Y649 PolarHBondContact N-OH 3.48Å
589M79.3Confident81.4Confident41 Ų4148.4 Ų48.420%0.20226%0.261CS..  trans-111.6154.1-176.4-74.3-176.8-85.900111.3W503 N507 M536 R587 W591 D592W503-M589 HydrophobicContact CZ2-CE 3.61Å; N507-M589 VanDerWaalsContact OD1-CE 3.32Å; N507-M589 WeakPolarHBondContact OD1-CE 3.07Å; N507-M589 PolarHBondContact OD1-SD 2.87Å; M536-M589 HydrophobicContact CE-CE 3.88Å; R587-M589 PolarHBondContact O-N 2.98Å; M589-W591 PolarHBondContact O-N 3.47Å; M589-W591 VanDerWaalsContact O-N 3.09Å; M589-D592 PolarHBondContact N-OD2 3.46Å; M589-D592 WeakPolarHBondContact O-CB 3.28Å; M589-D592 PolarHBondContact O-N 3.46Å
590S81.3Confident83.1Confident104 Ų10450.2 Ų50.273%0.72727%0.269SS*.Hα-helixtrans-56.3-28.2175.1-48.60000112.8D592 V593 V594S590-D592 VanDerWaalsContact C-N 3.29Å; S590-D592 PolarHBondContact O-N 3.21Å; S590-V593 PolarHBondContact O-N 3.38Å; S590-V594 PolarHBondContact O-N 3.33Å
591W83.9Confident84.8Confident126 Ų12651 Ų5148%0.47727%0.274SS..Hα-helixtrans-60.5-32.5173-66.9110.8000113.7M589 V593 V594 V595M589-W591 PolarHBondContact O-N 3.47Å; M589-W591 VanDerWaalsContact O-N 3.09Å; W591-V593 PolarHBondContact O-N 3.34Å; W591-V594 PolarHBondContact O-N 3.13Å; W591-V594 VanDerWaalsContact O-N 3.17Å; W591-V595 WeakPolarHBondContact O-CG2 3.39Å; W591-V595 PolarHBondContact O-N 3.17Å
592D86.3Confident86.2Confident23 Ų2352.1 Ų52.112%0.12328%0.28CS..Hα-helixtrans-62.4-37.5179.4-56.8-32.5000110.7A588 M589 S590 E596A588-D592 WeakPolarHBondContact CA-OD2 3.37Å; M589-D592 PolarHBondContact N-OD2 3.46Å; M589-D592 WeakPolarHBondContact O-CB 3.28Å; M589-D592 PolarHBondContact O-N 3.46Å; S590-D592 VanDerWaalsContact C-N 3.29Å; S590-D592 PolarHBondContact O-N 3.21Å; D592-E596 WeakPolarHBondContact O-CB 3.44Å; D592-E596 VanDerWaalsContact O-CD 3.27Å; D592-E596 WeakPolarHBondContact O-CG 3.1Å; D592-E596 PolarHBondContact O-N 3.32Å
593V87.8Confident87.4Confident76 Ų7651.9 Ų51.946%0.46128%0.278SS..Hα-helixtrans-68.9-40.5176.7-175.70000111.2S590 W591 V595 E596 L597S590-V593 PolarHBondContact O-N 3.38Å; W591-V593 PolarHBondContact O-N 3.34Å; V593-V595 VanDerWaalsContact C-N 3.32Å; V593-V595 PolarHBondContact O-N 3.25Å; V593-E596 PolarHBondContact O-N 2.83Å; V593-L597 HydrophobicContact CG1-CD1 4.13Å; V593-L597 HydrophobicContact CG1-CG 4.48Å; V593-L597 WeakPolarHBondContact O-CB 3.18Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.18Å; V593-L597 PolarHBondContact O-N 3.08Å
594V91Very high88.4Confident79 Ų7953.7 Ų53.748%0.47929%0.293SS..Hα-helixtrans-61.4-43.5176.8178.20000110.8S590 W591 A598S590-V594 PolarHBondContact O-N 3.33Å; W591-V594 PolarHBondContact O-N 3.13Å; W591-V594 VanDerWaalsContact O-N 3.17Å; V594-A598 PolarHBondContact O-N 3.23Å
595V90.5Very high89.2Confident14 Ų1454.4 Ų54.49%0.08530%0.298CS..Hα-helixtrans-65.3-44.7177.8171.50000111.5E449 Y499 W591 V593 L597 A598 E599E449-V595 HydrophobicContact CG-CG1 4.26Å; E449-V595 VanDerWaalsContact OE1-CG1 3.25Å; E449-V595 WeakPolarHBondContact OE1-CG1 3.31Å; E449-V595 WeakPolarHBondContact OE2-CG1 3.48Å; Y499-V595 HydrophobicContact CE1-CG2 3.58Å; Y499-V595 WeakPolarHBondContact OH-CG2 3.36Å; W591-V595 WeakPolarHBondContact O-CG2 3.39Å; W591-V595 PolarHBondContact O-N 3.17Å; V593-V595 VanDerWaalsContact C-N 3.32Å; V593-V595 PolarHBondContact O-N 3.25Å; V595-L597 PolarHBondContact O-N 3.27Å; V595-A598 CarbonylContact O-C 3.19Å; V595-A598 WeakPolarHBondContact O-CA 3.43Å; V595-A598 WeakPolarHBondContact O-CB 3.42Å; V595-A598 PolarHBondContact O-N 2.75Å; V595-E599 PolarHBondContact O-N 3.09Å
596E90.7Very high89.7Confident12 Ų1253.9 Ų53.96%0.05630%0.296CS..Hα-helixtrans-70.4-32.2-178-70.1165.6-167.700112.2R448 D592 V593 F600 Y641 R644R448-E596 IonicContact CZ-OE1 3.96Å; R448-E596 IonicContact NH1-OE1 3.01Å; R448-E596 PolarHBondContact NH1-OE1 3.46Å; R448-E596 IonicContact NH2-OE1 3.66Å; D592-E596 WeakPolarHBondContact O-CB 3.44Å; D592-E596 VanDerWaalsContact O-CD 3.27Å; D592-E596 WeakPolarHBondContact O-CG 3.1Å; D592-E596 PolarHBondContact O-N 3.32Å; V593-E596 PolarHBondContact O-N 2.83Å; E596-F600 WeakPolarHBondContact O-CB 3.35Å; E596-F600 WeakPolarHBondContact O-CD2 3.23Å; E596-F600 PolarHBondContact O-N 3.33Å; E596-Y641 HydrophobicContact CB-CD2 4.01Å; E596-Y641 HydrophobicContact CB-CE2 3.97Å; E596-Y641 HydrophobicContact CB-CG 4.35Å; E596-Y641 HydrophobicContact CG-CD1 3.96Å; E596-Y641 HydrophobicContact CG-CD2 4.06Å; E596-Y641 HydrophobicContact CG-CE1 3.65Å; E596-Y641 HydrophobicContact CG-CE2 3.73Å; E596-Y641 HydrophobicContact CG-CG 4.18Å; E596-Y641 WeakPolarHBondContact OE1-CE1 2.91Å; E596-Y641 VanDerWaalsContact OE2-CD1 3.25Å; E596-Y641 WeakPolarHBondContact OE2-CD1 3.24Å; E596-R644 IonicContact OE1-CZ 2.67Å; E596-R644 IonicContact OE1-NH1 2.83Å; E596-R644 PolarHBondContact OE1-NH1 3.34Å; E596-R644 IonicContact OE1-NH2 3.09Å; E596-R644 PolarHBondContact OE1-NH2 3.23Å; E596-R644 VanDerWaalsContact OE1-NH2 3.09Å; E596-R644 IonicContact OE2-CZ 3.13Å; E596-R644 IonicContact OE2-NH1 3.46Å; E596-R644 IonicContact OE2-NH2 2.68Å; E596-R644 PolarHBondContact OE2-NH2 2.89Å
597L92.3Very high90.1Very high101 Ų10153.3 Ų53.353%0.52929%0.291SS..Hα-helixtrans-65.1-37.7167.2-71.1170.9000111.8V593 V595 F600 I601V593-L597 HydrophobicContact CG1-CD1 4.13Å; V593-L597 HydrophobicContact CG1-CG 4.48Å; V593-L597 WeakPolarHBondContact O-CB 3.18Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.18Å; V593-L597 PolarHBondContact O-N 3.08Å; V595-L597 PolarHBondContact O-N 3.27Å; L597-F600 WeakPolarHBondContact O-CB 3.48Å; L597-F600 PolarHBondContact O-N 3.33Å; L597-I601 WeakPolarHBondContact O-CD1 3.44Å; L597-I601 VanDerWaalsContact O-CG1 3.26Å; L597-I601 WeakPolarHBondContact O-CG1 3.45Å; L597-I601 PolarHBondContact O-N 3.47Å
598A92.8Very high90.5Very high44 Ų4452.7 Ų52.736%0.36429%0.293SS..Hα-helixtrans-67-44.9175.500000112.3V594 V595 F600 I601 I602V594-A598 PolarHBondContact O-N 3.23Å; V595-A598 CarbonylContact O-C 3.19Å; V595-A598 WeakPolarHBondContact O-CA 3.43Å; V595-A598 WeakPolarHBondContact O-CB 3.42Å; V595-A598 PolarHBondContact O-N 2.75Å; A598-F600 VanDerWaalsContact C-N 3.3Å; A598-F600 PolarHBondContact O-N 3.11Å; A598-I601 PolarHBondContact O-N 2.75Å; A598-I602 WeakPolarHBondContact O-CB 3.32Å; A598-I602 WeakPolarHBondContact O-CD1 3.5Å; A598-I602 VanDerWaalsContact O-CG1 3.23Å; A598-I602 WeakPolarHBondContact O-CG1 3.47Å; A598-I602 PolarHBondContact O-N 2.85Å
599E93.9Very high91.2Very high6 Ų654.8 Ų54.83%0.02829%0.293CS..Hα-helixtrans-52.8-48.8170.3-72.4-170.2141.400110.8F452 V595 I601 I602 L603 Y641F452-E599 HydrophobicContact CD1-CG 4.13Å; F452-E599 HydrophobicContact CD2-CG 4.33Å; F452-E599 VanDerWaalsContact CD2-OE1 3.29Å; F452-E599 WeakPolarHBondContact CD2-OE1 3.38Å; F452-E599 HydrophobicContact CE1-CB 4.21Å; F452-E599 HydrophobicContact CE1-CG 3.88Å; F452-E599 HydrophobicContact CE2-CB 4.24Å; F452-E599 HydrophobicContact CE2-CG 4.09Å; F452-E599 HydrophobicContact CG-CG 4.37Å; F452-E599 WeakPolarHBondContact CG-OE1 3.43Å; F452-E599 HydrophobicContact CZ-CB 3.84Å; F452-E599 HydrophobicContact CZ-CG 3.86Å; V595-E599 PolarHBondContact O-N 3.09Å; E599-I601 PolarHBondContact O-N 2.89Å; E599-I602 PolarHBondContact O-N 3.05Å; E599-L603 VanDerWaalsContact O-CG 3.29Å; E599-L603 WeakPolarHBondContact O-CG 3.26Å; E599-L603 PolarHBondContact O-N 3.16Å; E599-Y641 WeakPolarHBondContact OE2-CE2 3.31Å; E599-Y641 VanDerWaalsContact OE2-CZ 3.23Å; E599-Y641 PolarHBondContact OE2-OH 2.91Å
600F94.1Very high91.9Very high65 Ų6553.6 Ų53.629%0.28529%0.289SS..Hα-helixtrans-59.2-45.6178.9-107.4-67.9000113.3E596 L597 A598 L603 A604 M634 Y641E596-F600 WeakPolarHBondContact O-CB 3.35Å; E596-F600 WeakPolarHBondContact O-CD2 3.23Å; E596-F600 PolarHBondContact O-N 3.33Å; L597-F600 WeakPolarHBondContact O-CB 3.48Å; L597-F600 PolarHBondContact O-N 3.33Å; A598-F600 VanDerWaalsContact C-N 3.3Å; A598-F600 PolarHBondContact O-N 3.11Å; F600-L603 PolarHBondContact O-N 3.47Å; F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.48Å; F600-A604 PolarHBondContact O-N 2.9Å; F600-M634 HydrophobicContact CD1-CE 3.89Å; F600-M634 HydrophobicContact CD1-CG 4.07Å; F600-M634 HydrophobicContact CE1-CE 3.91Å; F600-M634 HydrophobicContact CE1-CG 3.85Å; F600-Y641 HydrophobicContact CE2-CD2 4.33Å
601I95.3Very high92.3Very high101 Ų10156.9 Ų56.952%0.51829%0.286SS..Hα-helixtrans-64-44.6178.4-71.1163.4000110.2L597 A598 E599 L603 A604 I605L597-I601 WeakPolarHBondContact O-CD1 3.44Å; L597-I601 VanDerWaalsContact O-CG1 3.26Å; L597-I601 WeakPolarHBondContact O-CG1 3.45Å; L597-I601 PolarHBondContact O-N 3.47Å; A598-I601 PolarHBondContact O-N 2.75Å; E599-I601 PolarHBondContact O-N 2.89Å; I601-L603 PolarHBondContact O-N 3.15Å; I601-A604 PolarHBondContact O-N 3.03Å; I601-I605 HydrophobicContact CG2-CD1 3.8Å; I601-I605 VanDerWaalsContact O-CG1 3.31Å; I601-I605 WeakPolarHBondContact O-CG1 3.42Å; I601-I605 PolarHBondContact O-N 3.22Å
602I94.9Very high92.6Very high47 Ų4755.2 Ų55.224%0.24129%0.285CS..Hα-helixtrans-59.1-48.5176.6-70.3164.1000110.3I460 F492 A598 E599 A604 I605 S606I460-I602 HydrophobicContact CD1-CG2 3.48Å; I460-I602 VanDerWaalsContact CD1-CG2 3.48Å; F492-I602 HydrophobicContact CE2-CD1 4.09Å; F492-I602 HydrophobicContact CZ-CD1 4.17Å; F492-I602 HydrophobicContact CZ-CG2 4.33Å; A598-I602 WeakPolarHBondContact O-CB 3.32Å; A598-I602 WeakPolarHBondContact O-CD1 3.5Å; A598-I602 VanDerWaalsContact O-CG1 3.23Å; A598-I602 WeakPolarHBondContact O-CG1 3.47Å; A598-I602 PolarHBondContact O-N 2.85Å; E599-I602 PolarHBondContact O-N 3.05Å; I602-A604 PolarHBondContact O-N 2.84Å; I602-I605 PolarHBondContact O-N 2.86Å; I602-S606 WeakPolarHBondContact O-CB 3.28Å; I602-S606 PolarHBondContact O-N 3.13Å; I602-S606 PolarHBondContact O-OG 3.45Å
603L95.6Very high92.7Very high5 Ų554.3 Ų54.33%0.02628%0.281CS..Hα-helixtrans-63.5-40.9177.4-68.3167.9000112.2F452 Y456 E599 F600 I601 S606 I607 L630 E633 M634F452-L603 HydrophobicContact CE2-CD1 4.19Å; F452-L603 HydrophobicContact CE2-CD2 4.37Å; F452-L603 HydrophobicContact CE2-CG 4.39Å; F452-L603 HydrophobicContact CZ-CD1 4.18Å; F452-L603 HydrophobicContact CZ-CD2 4.16Å; F452-L603 HydrophobicContact CZ-CG 3.99Å; Y456-L603 HydrophobicContact CD1-CD2 4.43Å; E599-L603 VanDerWaalsContact O-CG 3.29Å; E599-L603 WeakPolarHBondContact O-CG 3.26Å; E599-L603 PolarHBondContact O-N 3.16Å; F600-L603 PolarHBondContact O-N 3.47Å; I601-L603 PolarHBondContact O-N 3.15Å; L603-S606 WeakPolarHBondContact O-CB 3.45Å; L603-S606 PolarHBondContact O-N 3.18Å; L603-I607 WeakPolarHBondContact O-CB 3.42Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.5Å; L603-I607 PolarHBondContact O-N 3.06Å; L603-L630 HydrophobicContact CD2-CD2 3.77Å; L603-E633 HydrophobicContact CD1-CB 4.49Å; L603-E633 HydrophobicContact CD1-CG 3.71Å; L603-E633 HydrophobicContact CD2-CB 4.39Å; L603-E633 HydrophobicContact CD2-CG 3.98Å; L603-M634 HydrophobicContact CB-CB 4.47Å; L603-M634 HydrophobicContact CD1-CB 4.34Å
604A95.9Very high92.6Very high42 Ų4259.2 Ų59.235%0.34729%0.291SS..Hα-helixtrans-63.5-43.3178.400000112.5F600 I601 I602 S606 I607 H608F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.48Å; F600-A604 PolarHBondContact O-N 2.9Å; I601-A604 PolarHBondContact O-N 3.03Å; I602-A604 PolarHBondContact O-N 2.84Å; A604-S606 VanDerWaalsContact C-N 3.33Å; A604-I607 PolarHBondContact O-N 3.21Å; A604-H608 PolarHBondContact O-N 3.17Å
605I95Very high92.1Very high78 Ų7861 Ų6140%0.430%0.302SS..Hα-helixtrans-62.7-41.9173-67.3166.1000110.3I601 I602 I607 H608 Y609I601-I605 HydrophobicContact CG2-CD1 3.8Å; I601-I605 VanDerWaalsContact O-CG1 3.31Å; I601-I605 WeakPolarHBondContact O-CG1 3.42Å; I601-I605 PolarHBondContact O-N 3.22Å; I602-I605 PolarHBondContact O-N 2.86Å; I605-I607 PolarHBondContact O-N 3.33Å; I605-H608 WeakPolarHBondContact O-CB 3.37Å; I605-H608 PolarHBondContact O-N 2.87Å; I605-Y609 HydrophobicContact CG2-CD2 4.26Å; I605-Y609 HydrophobicContact CG2-CE1 4.2Å; I605-Y609 HydrophobicContact CG2-CE2 3.64Å; I605-Y609 PolarHBondContact O-N 3.13Å
606S94.4Very high91.4Very high1 Ų161 Ų611%0.00730%0.303CS..Hα-helixtrans-62.3-43.4178.1-530000112.3I460 I602 L603 A604 H608 Y609 C610I460-S606 WeakPolarHBondContact CD1-OG 2.99Å; I460-S606 WeakPolarHBondContact CG1-OG 3.38Å; I602-S606 WeakPolarHBondContact O-CB 3.28Å; I602-S606 PolarHBondContact O-N 3.13Å; I602-S606 PolarHBondContact O-OG 3.45Å; L603-S606 WeakPolarHBondContact O-CB 3.45Å; L603-S606 PolarHBondContact O-N 3.18Å; A604-S606 VanDerWaalsContact C-N 3.33Å; S606-H608 VanDerWaalsContact C-N 3.34Å; S606-Y609 PolarHBondContact O-N 3.21Å; S606-C610 PolarHBondContact O-N 2.86Å
607I94.7Very high90.5Very high9 Ų965.7 Ų65.75%0.04634%0.335CS..Hα-helixtrans-68.4-33.6175.6-68.4163.8000110.8L603 A604 I605 C610 R611 L630 I631 M634L603-I607 WeakPolarHBondContact O-CB 3.42Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.5Å; L603-I607 PolarHBondContact O-N 3.06Å; A604-I607 PolarHBondContact O-N 3.21Å; I605-I607 PolarHBondContact O-N 3.33Å; I607-C610 WeakPolarHBondContact O-CB 3.45Å; I607-C610 PolarHBondContact O-N 3.14Å; I607-R611 WeakPolarHBondContact O-CG 3.24Å; I607-R611 PolarHBondContact O-N 3.46Å; I607-L630 HydrophobicContact CD1-CB 4.28Å; I607-L630 HydrophobicContact CG1-CB 3.78Å; I607-I631 HydrophobicContact CD1-CG1 4.06Å; I607-I631 HydrophobicContact CG1-CG1 4.33Å; I607-M634 HydrophobicContact CD1-CB 4.09Å; I607-M634 HydrophobicContact CD1-CG 4.42Å; I607-M634 HydrophobicContact CD1-SD 3.53Å; I607-M634 VanDerWaalsContact CD1-SD 3.53Å
608H93.6Very high89.5Confident98 Ų9862 Ų6245%0.45432%0.318SS..Hα-helixtrans-61.7-46.6169.9176.993.3000111.5A604 I605 S606 C610 R611 L612A604-H608 PolarHBondContact O-N 3.17Å; I605-H608 WeakPolarHBondContact O-CB 3.37Å; I605-H608 PolarHBondContact O-N 2.87Å; S606-H608 VanDerWaalsContact C-N 3.34Å; H608-C610 VanDerWaalsContact C-N 3.34Å; H608-C610 PolarHBondContact O-N 3.34Å; H608-R611 WeakPolarHBondContact O-CA 3.33Å; H608-R611 WeakPolarHBondContact O-CB 3.44Å; H608-R611 PolarHBondContact O-N 2.93Å; H608-L612 PolarHBondContact O-N 3.09Å
609Y93.2Very high88.2Confident78 Ų7866.2 Ų66.231%0.30633%0.33SS..Hα-helixtrans-60.8-40.1173.7-61.4-28000112.3L467 I605 S606 R611 L612 V613L467-Y609 HydrophobicContact CD2-CD1 4.07Å; L467-Y609 HydrophobicContact CD2-CG 4.4Å; I605-Y609 HydrophobicContact CG2-CD2 4.26Å; I605-Y609 HydrophobicContact CG2-CE1 4.2Å; I605-Y609 HydrophobicContact CG2-CE2 3.64Å; I605-Y609 PolarHBondContact O-N 3.13Å; S606-Y609 PolarHBondContact O-N 3.21Å; Y609-R611 VanDerWaalsContact C-N 3.28Å; Y609-R611 PolarHBondContact O-N 3.24Å; Y609-L612 HydrophobicContact CD1-CD1 4.35Å; Y609-L612 PolarHBondContact O-N 3.35Å; Y609-V613 WeakPolarHBondContact O-CB 3.42Å; Y609-V613 WeakPolarHBondContact O-CG2 3.42Å; Y609-V613 PolarHBondContact O-N 3.28Å
610C92.2Very high87Confident16 Ų1670 Ų7011%0.10834%0.344CS..Hα-helixtrans-59.5-35.2171.5-800000113.2I463 S606 I607 H608 R614I463-C610 WeakPolarHBondContact CD1-SG 3.24Å; S606-C610 PolarHBondContact O-N 2.86Å; I607-C610 WeakPolarHBondContact O-CB 3.45Å; I607-C610 PolarHBondContact O-N 3.14Å; H608-C610 VanDerWaalsContact C-N 3.34Å; H608-C610 PolarHBondContact O-N 3.34Å; C610-R614 PolarHBondContact O-N 3.06Å; C610-R614 VanDerWaalsContact O-N 3.1Å
611R90.2Very high86.3Confident174 Ų17470.6 Ų70.666%0.65735%0.351SS*.Hα-helixtrans-67.8-44.7174.8-72.2170.4178.5138.4-1.3111.7I607 H608 Y609 V613 R614I607-R611 WeakPolarHBondContact O-CG 3.24Å; I607-R611 PolarHBondContact O-N 3.46Å; H608-R611 WeakPolarHBondContact O-CA 3.33Å; H608-R611 WeakPolarHBondContact O-CB 3.44Å; H608-R611 PolarHBondContact O-N 2.93Å; Y609-R611 VanDerWaalsContact C-N 3.28Å; Y609-R611 PolarHBondContact O-N 3.24Å; R611-V613 VanDerWaalsContact C-N 3.27Å; R611-V613 PolarHBondContact O-N 3.25Å; R611-R614 WeakPolarHBondContact O-CB 3.37Å; R611-R614 PolarHBondContact O-N 3Å
612L90Very high85.8Confident91 Ų9168 Ų6848%0.47634%0.337SS..Hα-helixtrans-59.5-37.9175.3-63.9-179.5000112.2L467 H608 Y609L467-L612 HydrophobicContact CD1-CB 4.22Å; L467-L612 HydrophobicContact CD1-CD1 4.37Å; H608-L612 PolarHBondContact O-N 3.09Å; Y609-L612 HydrophobicContact CD1-CD1 4.35Å; Y609-L612 PolarHBondContact O-N 3.35Å
613V88.3Confident85.4Confident4 Ų466.4 Ų66.42%0.02433%0.329CS..THydrogen-bonded Turntrans-88.1-2.4-176.9178.50000112.8I463 V466 L467 Y609 R611 T615 A616 T623I463-V613 HydrophobicContact CG2-CG2 4.41Å; V466-V613 HydrophobicContact CB-CG1 4.11Å; V466-V613 HydrophobicContact CG1-CG1 3.48Å; V466-V613 VanDerWaalsContact CG1-CG1 3.48Å; L467-V613 HydrophobicContact CB-CG2 3.74Å; L467-V613 HydrophobicContact CD1-CG2 3.83Å; L467-V613 HydrophobicContact CG-CG2 4.35Å; Y609-V613 WeakPolarHBondContact O-CB 3.42Å; Y609-V613 WeakPolarHBondContact O-CG2 3.42Å; Y609-V613 PolarHBondContact O-N 3.28Å; R611-V613 VanDerWaalsContact C-N 3.27Å; R611-V613 PolarHBondContact O-N 3.25Å; V613-T615 PolarHBondContact O-N 2.99Å; V613-T615 VanDerWaalsContact O-N 3.07Å; V613-A616 HydrophobicContact CG1-CB 3.84Å; V613-A616 WeakPolarHBondContact O-CB 3.24Å; V613-A616 PolarHBondContact O-N 3.19Å; V613-T623 HydrophobicContact CG1-CG2 3.64Å
614R86.3Confident85.1Confident179 Ų17970.5 Ų70.568%0.67535%0.348SS*.THydrogen-bonded Turntrans-61.6-25.1-170.9-157.7-173.775.6108.40114.9C610 R611C610-R614 PolarHBondContact O-N 3.06Å; C610-R614 VanDerWaalsContact O-N 3.1Å; R611-R614 WeakPolarHBondContact O-CB 3.37Å; R611-R614 PolarHBondContact O-N 3Å
615T80.3Confident84.9Confident117 Ų11773 Ų7372%0.71835%0.349SS*.THydrogen-bonded Turntrans-89.6-5.7177.250.30000113.7V613V613-T615 PolarHBondContact O-N 2.99Å; V613-T615 VanDerWaalsContact O-N 3.07Å
616A75.1Confident84.8Confident12 Ų1269.5 Ų69.510%0.09933%0.331CS..SBendtrans-65.8128.5175.400000110.9V466 F470 V613 S618V466-A616 HydrophobicContact CG1-CB 4.4Å; F470-A616 HydrophobicContact CD1-CB 4.46Å; F470-A616 HydrophobicContact CD2-CB 3.72Å; F470-A616 HydrophobicContact CE1-CB 4.16Å; F470-A616 HydrophobicContact CE2-CB 3.38Å; F470-A616 HydrophobicContact CG-CB 4.27Å; F470-A616 HydrophobicContact CZ-CB 3.62Å; V613-A616 HydrophobicContact CG1-CB 3.84Å; V613-A616 WeakPolarHBondContact O-CB 3.24Å; V613-A616 PolarHBondContact O-N 3.19Å; A616-S618 VanDerWaalsContact C-N 3.35Å; A616-S618 PolarHBondContact O-N 3.02Å
617P72.5Confident84.7Confident112 Ų11269.9 Ų69.973%0.72734%0.335SS*.  trans-68.595.316528.9-32.9000108.8F470F470-P617 HydrophobicContact CE1-CG 4.49Å; F470-P617 HydrophobicContact CZ-CG 4.35Å
618S72.2Confident84.7Confident24 Ų2472.8 Ų72.817%0.16835%0.353CS..  trans-90.3137.117056.10000110.3A616 Y620 N621 E622 T623A616-S618 VanDerWaalsContact C-N 3.35Å; A616-S618 PolarHBondContact O-N 3.02Å; S618-Y620 PolarHBondContact O-N 3.41Å; S618-N621 PolarHBondContact O-N 3.02Å; S618-N621 WeakPolarHBondContact OG-CA 3.26Å; S618-E622 PolarHBondContact OG-N 3Å; S618-T623 PolarHBondContact OG-N 3.1Å; S618-T623 PolarHBondContact OG-OG1 3.32Å
619E64.5Low84.8Confident132 Ų13268.1 Ų68.162%0.61733%0.332SS*.G310 helixtrans-54.6136.9166.7-68.5150.7-14400108.6N621 E622E619-N621 PolarHBondContact O-N 3.06Å; E619-N621 VanDerWaalsContact O-N 3.08Å; E619-E622 PolarHBondContact O-N 2.96Å; E619-E622 VanDerWaalsContact O-N 3.16Å
620Y69.7Low84.9Confident84 Ų8464.4 Ų64.433%0.32932%0.317SS..G310 helixtrans59.713.5-177.7-35.4-69.6000116.3S618 E622 Y625 F682S618-Y620 PolarHBondContact O-N 3.41Å; Y620-E622 PolarHBondContact O-N 3.25Å; Y620-Y625 VanDerWaalsContact O-CE2 3.31Å; Y620-Y625 WeakPolarHBondContact O-CE2 3.31Å; Y620-F682 HydrophobicContact CD1-CB 4.27Å; Y620-F682 HydrophobicContact CD1-CD2 4.2Å; Y620-F682 HydrophobicContact CD1-CG 4.1Å; Y620-F682 HydrophobicContact CE1-CB 4Å; Y620-F682 AromaticContact CE1-CD1 3.53Å; Y620-F682 HydrophobicContact CE1-CD1 3.53Å; Y620-F682 AromaticContact CE1-CD2 3.58Å; Y620-F682 HydrophobicContact CE1-CD2 3.58Å; Y620-F682 AromaticContact CE1-CE1 3.79Å; Y620-F682 HydrophobicContact CE1-CE1 3.79Å; Y620-F682 AromaticContact CE1-CE2 3.83Å; Y620-F682 HydrophobicContact CE1-CE2 3.83Å; Y620-F682 AromaticContact CE1-CG 3.4Å; Y620-F682 HydrophobicContact CE1-CG 3.4Å; Y620-F682 VanDerWaalsContact CE1-CG 3.4Å; Y620-F682 AromaticContact CE1-CZ 3.93Å; Y620-F682 HydrophobicContact CE1-CZ 3.93Å; Y620-F682 AromaticContact CZ-CD1 3.83Å; Y620-F682 AromaticContact CZ-CE1 3.92Å; Y620-F682 WeakPolarHBondContact OH-CE1 3.45Å
621N79.3Confident85.1Confident79 Ų7967.6 Ų67.642%0.42233%0.332SS..G310 helixtrans52.829.6-167.7-67.7-15000112.9S618 E619 T623 Q624 Y625S618-N621 PolarHBondContact O-N 3.02Å; S618-N621 WeakPolarHBondContact OG-CA 3.26Å; E619-N621 PolarHBondContact O-N 3.06Å; E619-N621 VanDerWaalsContact O-N 3.08Å; N621-T623 PolarHBondContact O-N 3.14Å; N621-Q624 HydrophobicContact CB-CB 4.34Å; N621-Q624 HydrophobicContact CB-CG 4.3Å; N621-Q624 WeakPolarHBondContact O-CB 3.19Å; N621-Q624 PolarHBondContact O-N 3.47Å; N621-Y625 HydrophobicContact CB-CD2 4.44Å; N621-Y625 HydrophobicContact CB-CE2 4.2Å; N621-Y625 WeakPolarHBondContact O-CD2 3.4Å; N621-Y625 PolarHBondContact O-N 3.26Å
622E84Confident85.3Confident47 Ų4761 Ų6122%0.2231%0.31CS..Hα-helixtrans-53-35.8-173.9174.5164.4-174.300112.8S618 E619 Y620 Q624 Y625 I626 K679S618-E622 PolarHBondContact OG-N 3Å; E619-E622 PolarHBondContact O-N 2.96Å; E619-E622 VanDerWaalsContact O-N 3.16Å; Y620-E622 PolarHBondContact O-N 3.25Å; E622-Q624 VanDerWaalsContact C-N 3.26Å; E622-Q624 PolarHBondContact O-N 3.01Å; E622-Y625 PolarHBondContact O-N 3.22Å; E622-I626 HydrophobicContact CG-CD1 3.66Å; E622-I626 HydrophobicContact CG-CG1 4.18Å; E622-I626 WeakPolarHBondContact O-CG1 3.22Å; E622-I626 PolarHBondContact O-N 3.47Å; E622-K679 WeakPolarHBondContact OE1-CE 3.45Å; E622-K679 IonicContact OE1-NZ 3.32Å; E622-K679 PolarHBondContact OE1-NZ 3.34Å; E622-K679 VanDerWaalsContact OE2-CE 3.27Å; E622-K679 WeakPolarHBondContact OE2-CE 3.14Å; E622-K679 IonicContact OE2-NZ 3.11Å; E622-K679 PolarHBondContact OE2-NZ 2.94Å
623T87.3Confident85.6Confident12 Ų1256.8 Ų56.87%0.07429%0.288CS..Hα-helixtrans-63.2-29.2177.152.40000113.6V466 V613 S618 N621 G627V466-T623 HydrophobicContact CB-CG2 4.49Å; V466-T623 HydrophobicContact CG1-CG2 4.03Å; V466-T623 HydrophobicContact CG2-CG2 4.31Å; V613-T623 HydrophobicContact CG1-CG2 3.64Å; S618-T623 PolarHBondContact OG-N 3.1Å; S618-T623 PolarHBondContact OG-OG1 3.32Å; N621-T623 PolarHBondContact O-N 3.14Å; T623-G627 PolarHBondContact O-N 3.27Å
624Q88.7Confident85.9Confident92 Ų9259.5 Ų59.543%0.4330%0.301SS..Hα-helixtrans-78.2-43.4176.4-58.6-177.5-3.300111N621 E622 G627 V628N621-Q624 HydrophobicContact CB-CB 4.34Å; N621-Q624 HydrophobicContact CB-CG 4.3Å; N621-Q624 WeakPolarHBondContact O-CB 3.19Å; N621-Q624 PolarHBondContact O-N 3.47Å; E622-Q624 VanDerWaalsContact C-N 3.26Å; E622-Q624 PolarHBondContact O-N 3.01Å; Q624-G627 PolarHBondContact O-N 3.23Å; Q624-V628 WeakPolarHBondContact O-CG2 3.47Å; Q624-V628 PolarHBondContact O-N 3.19Å
625Y92Very high86.3Confident93 Ų9355.1 Ų55.137%0.36529%0.294SS..Hα-helixtrans-64.6-40.5177.3-69.1-67.1000112.5Y620 N621 E622 G627 V628 A629 L674 P678Y620-Y625 VanDerWaalsContact O-CE2 3.31Å; Y620-Y625 WeakPolarHBondContact O-CE2 3.31Å; N621-Y625 HydrophobicContact CB-CD2 4.44Å; N621-Y625 HydrophobicContact CB-CE2 4.2Å; N621-Y625 WeakPolarHBondContact O-CD2 3.4Å; N621-Y625 PolarHBondContact O-N 3.26Å; E622-Y625 PolarHBondContact O-N 3.22Å; Y625-G627 VanDerWaalsContact C-N 3.35Å; Y625-V628 PolarHBondContact O-N 3.38Å; Y625-A629 WeakPolarHBondContact O-CB 3.42Å; Y625-A629 PolarHBondContact O-N 2.83Å; Y625-L674 HydrophobicContact CD1-CD2 4.17Å; Y625-P678 HydrophobicContact CD2-CG 4.15Å; Y625-P678 HydrophobicContact CE2-CB 4.48Å; Y625-P678 HydrophobicContact CE2-CG 4.04Å; Y625-P678 HydrophobicContact CG-CG 4.49Å
626I92.4Very high87.1Confident5 Ų550.9 Ų50.93%0.02627%0.268CS..Hα-helixtrans-64.9-39.9172.2-64171.6000110.9L459 K462 I463 E622 V628 A629 L630L459-I626 HydrophobicContact CB-CG2 4.07Å; L459-I626 HydrophobicContact CD1-CG2 4.46Å; K462-I626 HydrophobicContact CB-CD1 4.33Å; K462-I626 HydrophobicContact CD-CD1 4.3Å; I463-I626 HydrophobicContact CD1-CG2 3.75Å; I463-I626 HydrophobicContact CG1-CG2 3.9Å; E622-I626 HydrophobicContact CG-CD1 3.66Å; E622-I626 HydrophobicContact CG-CG1 4.18Å; E622-I626 WeakPolarHBondContact O-CG1 3.22Å; E622-I626 PolarHBondContact O-N 3.47Å; I626-V628 PolarHBondContact O-N 3.28Å; I626-A629 PolarHBondContact O-N 2.95Å; I626-L630 HydrophobicContact CG2-CD1 4.2Å; I626-L630 HydrophobicContact CG2-CG 4.48Å; I626-L630 WeakPolarHBondContact O-CG 3.19Å; I626-L630 PolarHBondContact O-N 3Å
627G93.3Very high88Confident10 Ų1050.4 Ų50.410%0.10326%0.264CS..Hα-helixtrans-60.7-42.2175.600000113.2T623 Q624 Y625 I631T623-G627 PolarHBondContact O-N 3.27Å; Q624-G627 PolarHBondContact O-N 3.23Å; Y625-G627 VanDerWaalsContact C-N 3.35Å; G627-I631 WeakPolarHBondContact O-CD1 3.43Å; G627-I631 VanDerWaalsContact O-CG1 3.27Å; G627-I631 WeakPolarHBondContact O-CG1 3.46Å; G627-I631 PolarHBondContact O-N 3.12Å
628V93.8Very high88.9Confident69 Ų6945.3 Ų45.342%0.41823%0.232SC..Hα-helixtrans-64.9-43.4173.41720000111.1Q624 Y625 I626 L630 I631 I632 L674Q624-V628 WeakPolarHBondContact O-CG2 3.47Å; Q624-V628 PolarHBondContact O-N 3.19Å; Y625-V628 PolarHBondContact O-N 3.38Å; I626-V628 PolarHBondContact O-N 3.28Å; V628-L630 PolarHBondContact O-N 2.8Å; V628-I631 PolarHBondContact O-N 3.44Å; V628-I631 VanDerWaalsContact O-N 3.14Å; V628-I632 HydrophobicContact CG1-CD1 3.84Å; V628-I632 HydrophobicContact CG1-CG1 4.39Å; V628-I632 WeakPolarHBondContact O-CG1 3.45Å; V628-I632 PolarHBondContact O-N 3.29Å; V628-L674 HydrophobicContact CG1-CD1 3.99Å
629A95Very high89.9Confident0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-60-41.9179.800000113.2Y625 I626 I632 E633 N671 I675Y625-A629 WeakPolarHBondContact O-CB 3.42Å; Y625-A629 PolarHBondContact O-N 2.83Å; I626-A629 PolarHBondContact O-N 2.95Å; A629-I632 PolarHBondContact O-N 2.97Å; A629-E633 PolarHBondContact O-N 3.49Å; A629-E633 VanDerWaalsContact O-N 3.14Å; A629-N671 WeakPolarHBondContact CA-OD1 3.38Å; A629-N671 HydrophobicContact CB-CB 4.06Å; A629-N671 VanDerWaalsContact CB-CG 3.49Å; A629-N671 VanDerWaalsContact CB-OD1 3.25Å; A629-N671 WeakPolarHBondContact CB-OD1 3.31Å; A629-N671 PolarHBondContact O-ND2 3.27Å; A629-N671 PolarHBondContact O-OD1 3.05Å; A629-I675 HydrophobicContact CB-CD1 4.46Å
630L95.8Very high91.2Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-67.9-34.7175.1-69.4170.9000112.7Y456 L459 I463 L603 I607 I626 V628 M634Y456-L630 HydrophobicContact CD1-CD2 3.81Å; Y456-L630 HydrophobicContact CE1-CD2 4.32Å; L459-L630 HydrophobicContact CD1-CD2 4.44Å; I463-L630 HydrophobicContact CD1-CD1 3.6Å; L603-L630 HydrophobicContact CD2-CD2 3.77Å; I607-L630 HydrophobicContact CD1-CB 4.28Å; I607-L630 HydrophobicContact CG1-CB 3.78Å; I626-L630 HydrophobicContact CG2-CD1 4.2Å; I626-L630 HydrophobicContact CG2-CG 4.48Å; I626-L630 WeakPolarHBondContact O-CG 3.19Å; I626-L630 PolarHBondContact O-N 3Å; V628-L630 PolarHBondContact O-N 2.8Å; L630-M634 WeakPolarHBondContact O-CB 3.33Å; L630-M634 PolarHBondContact O-N 3.09Å
631I95.9Very high92.2Very high84 Ų8442 Ų4243%0.43122%0.215SC..Hα-helixtrans-67.1-40.3174.9-70.1165.2000110.7I607 G627 V628 M634 T635I607-I631 HydrophobicContact CD1-CG1 4.06Å; I607-I631 HydrophobicContact CG1-CG1 4.33Å; G627-I631 WeakPolarHBondContact O-CD1 3.43Å; G627-I631 VanDerWaalsContact O-CG1 3.27Å; G627-I631 WeakPolarHBondContact O-CG1 3.46Å; G627-I631 PolarHBondContact O-N 3.12Å; V628-I631 PolarHBondContact O-N 3.44Å; V628-I631 VanDerWaalsContact O-N 3.14Å; I631-M634 PolarHBondContact O-N 3.15Å; I631-T635 HydrophobicContact CG2-CG2 4.36Å; I631-T635 WeakPolarHBondContact O-CG2 3.43Å; I631-T635 PolarHBondContact O-N 3.31Å; I631-T635 PolarHBondContact O-OG1 3.3Å; I631-T635 VanDerWaalsContact O-OG1 3.08Å
632I95.9Very high92.8Very high35 Ų3544.3 Ų44.318%0.17923%0.226CC..Hα-helixtrans-62.5-45.5176.7-69168000111.1V628 A629 T635 V636 I666 V670 L674V628-I632 HydrophobicContact CG1-CD1 3.84Å; V628-I632 HydrophobicContact CG1-CG1 4.39Å; V628-I632 WeakPolarHBondContact O-CG1 3.45Å; V628-I632 PolarHBondContact O-N 3.29Å; A629-I632 PolarHBondContact O-N 2.97Å; I632-T635 PolarHBondContact O-OG1 3.3Å; I632-V636 HydrophobicContact CG2-CG2 4.3Å; I632-V636 VanDerWaalsContact O-CB 3.3Å; I632-V636 WeakPolarHBondContact O-CB 3.4Å; I632-V636 WeakPolarHBondContact O-CG2 3.29Å; I632-V636 PolarHBondContact O-N 3.08Å; I632-V636 VanDerWaalsContact O-N 3.11Å; I632-I666 HydrophobicContact CG2-CG2 4.07Å; I632-I666 WeakPolarHBondContact CG2-O 3.21Å; I632-V670 HydrophobicContact CD1-CG1 4.11Å; I632-L674 HydrophobicContact CD1-CD1 3.74Å
633E95.3Very high93.1Very high3 Ų344.7 Ų44.71%0.01423%0.23CC..Hα-helixtrans-59.2-51.617417964.4-131.700110.9F452 Y456 L603 A629 T635 S637 R663 T667F452-E633 HydrophobicContact CE2-CG 4.27Å; Y456-E633 HydrophobicContact CE1-CB 4.07Å; Y456-E633 HydrophobicContact CE1-CG 4.14Å; Y456-E633 HydrophobicContact CE2-CG 3.87Å; Y456-E633 VanDerWaalsContact CE2-OE2 3.28Å; Y456-E633 WeakPolarHBondContact CE2-OE2 3.13Å; Y456-E633 PolarHBondContact OH-OE2 3.21Å; L603-E633 HydrophobicContact CD1-CB 4.49Å; L603-E633 HydrophobicContact CD1-CG 3.71Å; L603-E633 HydrophobicContact CD2-CB 4.39Å; L603-E633 HydrophobicContact CD2-CG 3.98Å; A629-E633 PolarHBondContact O-N 3.49Å; A629-E633 VanDerWaalsContact O-N 3.14Å; E633-T635 PolarHBondContact O-N 2.99Å; E633-S637 WeakPolarHBondContact O-CB 3.46Å; E633-S637 PolarHBondContact O-N 3.02Å; E633-S637 PolarHBondContact O-OG 3.23Å; E633-S637 WeakPolarHBondContact OE1-CB 3.3Å; E633-S637 PolarHBondContact OE1-OG 2.86Å; E633-R663 IonicContact OE1-NH2 2.76Å; E633-R663 PolarHBondContact OE1-NH2 3Å; E633-T667 WeakPolarHBondContact OE2-CB 3.34Å
634M95.2Very high93.1Very high61 Ų6145.4 Ų45.430%0.323%0.231SC..Hα-helixtrans-60.6-40.3-176.4-172-173.4-178.800113.2F600 L603 I607 L630 I631 G638F600-M634 HydrophobicContact CD1-CE 3.89Å; F600-M634 HydrophobicContact CD1-CG 4.07Å; F600-M634 HydrophobicContact CE1-CE 3.91Å; F600-M634 HydrophobicContact CE1-CG 3.85Å; L603-M634 HydrophobicContact CB-CB 4.47Å; L603-M634 HydrophobicContact CD1-CB 4.34Å; I607-M634 HydrophobicContact CD1-CB 4.09Å; I607-M634 HydrophobicContact CD1-CG 4.42Å; I607-M634 HydrophobicContact CD1-SD 3.53Å; I607-M634 VanDerWaalsContact CD1-SD 3.53Å; L630-M634 WeakPolarHBondContact O-CB 3.33Å; L630-M634 PolarHBondContact O-N 3.09Å; I631-M634 PolarHBondContact O-N 3.15Å; M634-G638 PolarHBondContact O-N 2.81Å
635T95.4Very high92.9Very high86 Ų8648.5 Ų48.553%0.52825%0.245SC..Hα-helixtrans-77.7-43.4-178.756.10000112.8I631 I632 E633 F639I631-T635 HydrophobicContact CG2-CG2 4.36Å; I631-T635 WeakPolarHBondContact O-CG2 3.43Å; I631-T635 PolarHBondContact O-N 3.31Å; I631-T635 PolarHBondContact O-OG1 3.3Å; I631-T635 VanDerWaalsContact O-OG1 3.08Å; I632-T635 PolarHBondContact O-OG1 3.3Å; E633-T635 PolarHBondContact O-N 2.99Å; T635-F639 WeakPolarHBondContact O-CB 3.42Å; T635-F639 PolarHBondContact O-N 3.02Å
636V95.7Very high92.6Very high28 Ų2851 Ų5117%0.1726%0.258CS..Hα-helixtrans-74.4-45.4-174176.60000110.9I632 L640 R663 I666 T667I632-V636 HydrophobicContact CG2-CG2 4.3Å; I632-V636 VanDerWaalsContact O-CB 3.3Å; I632-V636 WeakPolarHBondContact O-CB 3.4Å; I632-V636 WeakPolarHBondContact O-CG2 3.29Å; I632-V636 PolarHBondContact O-N 3.08Å; I632-V636 VanDerWaalsContact O-N 3.11Å; V636-L640 HydrophobicContact CG1-CD1 4.28Å; V636-L640 PolarHBondContact O-N 3.04Å; V636-R663 HydrophobicContact CG1-CG 4.34Å; V636-I666 HydrophobicContact CB-CG2 4.48Å; V636-I666 HydrophobicContact CG1-CB 4.34Å; V636-I666 HydrophobicContact CG1-CG2 4.19Å; V636-I666 HydrophobicContact CG2-CG2 3.69Å; V636-T667 HydrophobicContact CB-CG2 4.03Å; V636-T667 HydrophobicContact CG1-CG2 3.99Å
637S93.6Very high92.4Very high2 Ų252.5 Ų52.51%0.01427%0.266CS..Hα-helixtrans-68.7-39.2176.7-58.70000111.1E633 L640 Y641 R663E633-S637 WeakPolarHBondContact O-CB 3.46Å; E633-S637 PolarHBondContact O-N 3.02Å; E633-S637 PolarHBondContact O-OG 3.23Å; E633-S637 WeakPolarHBondContact OE1-CB 3.3Å; E633-S637 PolarHBondContact OE1-OG 2.86Å; S637-L640 PolarHBondContact O-N 3.38Å; S637-Y641 WeakPolarHBondContact O-CD2 3.43Å; S637-Y641 VanDerWaalsContact O-CG 3.25Å; S637-Y641 PolarHBondContact O-N 2.93Å; S637-R663 VanDerWaalsContact CB-NH2 3.3Å; S637-R663 PolarHBondContact OG-NE 2.97Å; S637-R663 PolarHBondContact OG-NH2 3.19Å
638G92.4Very high92Very high6 Ų653.4 Ų53.46%0.06227%0.266CS..Hα-helixtrans-58.7-46.9173.700000114M634 L640 Y641 L642M634-G638 PolarHBondContact O-N 2.81Å; G638-L640 VanDerWaalsContact C-N 3.32Å; G638-L640 PolarHBondContact O-N 3.36Å; G638-Y641 PolarHBondContact O-N 3.48Å; G638-L642 WeakPolarHBondContact O-CG 3.11Å; G638-L642 PolarHBondContact O-N 3.2Å; G638-L642 VanDerWaalsContact O-N 3.17Å
639F93.5Very high91.5Very high129 Ų12953 Ų5357%0.56626%0.257SS*.Hα-helixtrans-59.1-42.9175.4175.7-113.1000112.1T635 L642 L643T635-F639 WeakPolarHBondContact O-CB 3.42Å; T635-F639 PolarHBondContact O-N 3.02Å; F639-L642 PolarHBondContact O-N 2.87Å; F639-L643 HydrophobicContact CD1-CD1 4.03Å; F639-L643 HydrophobicContact CE1-CD1 3.46Å; F639-L643 VanDerWaalsContact CE1-CD1 3.46Å; F639-L643 HydrophobicContact CE1-CG 4.36Å; F639-L643 HydrophobicContact CE2-CD1 4.18Å; F639-L643 HydrophobicContact CE2-CG 4.31Å; F639-L643 HydrophobicContact CZ-CD1 3.55Å; F639-L643 HydrophobicContact CZ-CG 4.16Å; F639-L643 WeakPolarHBondContact O-CG 3.48Å; F639-L643 PolarHBondContact O-N 2.89Å
640L92.4Very high90.8Very high21 Ų2156.8 Ų56.811%0.1128%0.278CS..Hα-helixtrans-75-32.8-178.3-73.2165.7000113.6V636 S637 G638 L642 L643 R644 L659 R663V636-L640 HydrophobicContact CG1-CD1 4.28Å; V636-L640 PolarHBondContact O-N 3.04Å; S637-L640 PolarHBondContact O-N 3.38Å; G638-L640 VanDerWaalsContact C-N 3.32Å; G638-L640 PolarHBondContact O-N 3.36Å; L640-L642 VanDerWaalsContact C-N 3.34Å; L640-L643 HydrophobicContact CD2-CD1 4.25Å; L640-L643 PolarHBondContact O-N 2.89Å; L640-R644 WeakPolarHBondContact O-CB 3.49Å; L640-R644 PolarHBondContact O-N 2.62Å; L640-L659 HydrophobicContact CD2-CB 4.24Å; L640-L659 HydrophobicContact CD2-CD2 4.25Å; L640-R663 HydrophobicContact CD1-CB 3.46Å; L640-R663 VanDerWaalsContact CD1-CB 3.46Å; L640-R663 HydrophobicContact CD1-CG 3.62Å
641Y90.3Very high90.1Very high20 Ų2058.8 Ų58.88%0.07829%0.29CS..Hα-helixtrans-65.2-38.5172-65.7-36.8000111.9E596 E599 F600 S637 G638 R663E596-Y641 HydrophobicContact CB-CD2 4.01Å; E596-Y641 HydrophobicContact CB-CE2 3.97Å; E596-Y641 HydrophobicContact CB-CG 4.35Å; E596-Y641 HydrophobicContact CG-CD1 3.96Å; E596-Y641 HydrophobicContact CG-CD2 4.06Å; E596-Y641 HydrophobicContact CG-CE1 3.65Å; E596-Y641 HydrophobicContact CG-CE2 3.73Å; E596-Y641 HydrophobicContact CG-CG 4.18Å; E596-Y641 WeakPolarHBondContact OE1-CE1 2.91Å; E596-Y641 VanDerWaalsContact OE2-CD1 3.25Å; E596-Y641 WeakPolarHBondContact OE2-CD1 3.24Å; E599-Y641 WeakPolarHBondContact OE2-CE2 3.31Å; E599-Y641 VanDerWaalsContact OE2-CZ 3.23Å; E599-Y641 PolarHBondContact OE2-OH 2.91Å; F600-Y641 HydrophobicContact CE2-CD2 4.33Å; S637-Y641 WeakPolarHBondContact O-CD2 3.43Å; S637-Y641 VanDerWaalsContact O-CG 3.25Å; S637-Y641 PolarHBondContact O-N 2.93Å; G638-Y641 PolarHBondContact O-N 3.48Å; Y641-R663 PolarHBondContact OH-NH1 2.91Å; Y641-R663 PolarHBondContact OH-NH2 3.39Å
642L90.4Very high89.3Confident127 Ų12756.3 Ų56.367%0.66528%0.277SS*.Hα-helixtrans-64.6-45.9171.8-68.4172.1000112G638 F639 L640 R644 F646G638-L642 WeakPolarHBondContact O-CG 3.11Å; G638-L642 PolarHBondContact O-N 3.2Å; G638-L642 VanDerWaalsContact O-N 3.17Å; F639-L642 PolarHBondContact O-N 2.87Å; L640-L642 VanDerWaalsContact C-N 3.34Å; L642-R644 PolarHBondContact O-N 3.32Å; L642-F646 WeakPolarHBondContact O-CD2 3.2Å
643L90.4Very high88.7Confident56 Ų5655.8 Ų55.829%0.29328%0.276SS..Hα-helixtrans-61.6-42176.3-76.2-179.4000112.5F639 L640 H645 F646 I647F639-L643 HydrophobicContact CD1-CD1 4.03Å; F639-L643 HydrophobicContact CE1-CD1 3.46Å; F639-L643 VanDerWaalsContact CE1-CD1 3.46Å; F639-L643 HydrophobicContact CE1-CG 4.36Å; F639-L643 HydrophobicContact CE2-CD1 4.18Å; F639-L643 HydrophobicContact CE2-CG 4.31Å; F639-L643 HydrophobicContact CZ-CD1 3.55Å; F639-L643 HydrophobicContact CZ-CG 4.16Å; F639-L643 WeakPolarHBondContact O-CG 3.48Å; F639-L643 PolarHBondContact O-N 2.89Å; L640-L643 HydrophobicContact CD2-CD1 4.25Å; L640-L643 PolarHBondContact O-N 2.89Å; L643-H645 PolarHBondContact O-N 3.38Å; L643-F646 PolarHBondContact O-N 2.95Å; L643-I647 HydrophobicContact CB-CD1 4.47Å; L643-I647 PolarHBondContact O-N 3.04Å; L643-I647 VanDerWaalsContact O-N 3.11Å
644R88.9Confident88.2Confident27 Ų2756 Ų5610%0.10228%0.276CS..Hα-helixtrans-52.1-41.9-176.4-170.3-173.166.6179.3-7.2112.1E596 L640 L642 F646 I647 W648 Y660E596-R644 IonicContact OE1-CZ 2.67Å; E596-R644 IonicContact OE1-NH1 2.83Å; E596-R644 PolarHBondContact OE1-NH1 3.34Å; E596-R644 IonicContact OE1-NH2 3.09Å; E596-R644 PolarHBondContact OE1-NH2 3.23Å; E596-R644 VanDerWaalsContact OE1-NH2 3.09Å; E596-R644 IonicContact OE2-CZ 3.13Å; E596-R644 IonicContact OE2-NH1 3.46Å; E596-R644 IonicContact OE2-NH2 2.68Å; E596-R644 PolarHBondContact OE2-NH2 2.89Å; L640-R644 WeakPolarHBondContact O-CB 3.49Å; L640-R644 PolarHBondContact O-N 2.62Å; L642-R644 PolarHBondContact O-N 3.32Å; R644-F646 PolarHBondContact O-N 2.98Å; R644-F646 VanDerWaalsContact O-N 3.11Å; R644-I647 PolarHBondContact O-N 3.15Å; R644-W648 HydrophobicContact CG-CB 4.14Å; R644-W648 HydrophobicContact CG-CD2 4.16Å; R644-W648 HydrophobicContact CG-CE3 3.62Å; R644-W648 HydrophobicContact CG-CG 4.43Å; R644-W648 HydrophobicContact CG-CZ3 4.33Å; R644-W648 VanDerWaalsContact O-CB 3.32Å; R644-W648 WeakPolarHBondContact O-CB 3.26Å; R644-W648 PolarHBondContact O-N 3Å; R644-W648 VanDerWaalsContact O-N 3.08Å; R644-Y660 WeakPolarHBondContact CD-OH 3.45Å
645H84.4Confident87.8Confident157 Ų15760 Ų6073%0.72729%0.289SS*.Hα-helixtrans-55.7-28.8179.9-169.9-74000113.4L643L643-H645 PolarHBondContact O-N 3.38Å
646F85.6Confident87.4Confident145 Ų14556.4 Ų56.464%0.63627%0.267SS*.Hα-helixtrans-98.2-34.9179.3-57.9-80.6000113.1L642 L643 R644 N650L642-F646 WeakPolarHBondContact O-CD2 3.2Å; L643-F646 PolarHBondContact O-N 2.95Å; R644-F646 PolarHBondContact O-N 2.98Å; R644-F646 VanDerWaalsContact O-N 3.11Å; F646-N650 PolarHBondContact O-ND2 3.16Å
647I88Confident87.1Confident37 Ų3755.4 Ų55.419%0.1926%0.26CS..Hα-helixtrans-92-25.8-170.470.3177000115.2L643 R644 Y649 N650 V651 L659L643-I647 HydrophobicContact CB-CD1 4.47Å; L643-I647 PolarHBondContact O-N 3.04Å; L643-I647 VanDerWaalsContact O-N 3.11Å; R644-I647 PolarHBondContact O-N 3.15Å; I647-Y649 VanDerWaalsContact C-N 3.3Å; I647-Y649 PolarHBondContact O-N 2.9Å; I647-Y649 VanDerWaalsContact O-N 3.11Å; I647-N650 PolarHBondContact O-N 3.49Å; I647-V651 HydrophobicContact CB-CB 4.27Å; I647-V651 HydrophobicContact CB-CG2 3.78Å; I647-V651 HydrophobicContact CG2-CG2 4.18Å; I647-V651 WeakPolarHBondContact O-CB 3.49Å; I647-V651 PolarHBondContact O-N 3.17Å; I647-V651 VanDerWaalsContact O-N 3.15Å; I647-L659 HydrophobicContact CD1-CD1 3.58Å
648W84.4Confident86.9Confident29 Ų2957.8 Ų57.811%0.1127%0.272CS..THydrogen-bonded Turntrans-57.2-35.2-162.7-171.8-97.4000115.3C586 R644 I656 Y660C586-W648 PolarHBondContact O-NE1 3.39Å; R644-W648 HydrophobicContact CG-CB 4.14Å; R644-W648 HydrophobicContact CG-CD2 4.16Å; R644-W648 HydrophobicContact CG-CE3 3.62Å; R644-W648 HydrophobicContact CG-CG 4.43Å; R644-W648 HydrophobicContact CG-CZ3 4.33Å; R644-W648 VanDerWaalsContact O-CB 3.32Å; R644-W648 WeakPolarHBondContact O-CB 3.26Å; R644-W648 PolarHBondContact O-N 3Å; R644-W648 VanDerWaalsContact O-N 3.08Å; W648-I656 HydrophobicContact CE3-CD1 4.48Å; W648-I656 HydrophobicContact CE3-CG2 3.99Å; W648-I656 HydrophobicContact CZ3-CG2 3.84Å; W648-Y660 AromaticContact CZ3-CE2 3.93Å; W648-Y660 HydrophobicContact CZ3-CE2 3.93Å
649Y82.8Confident86.9Confident59 Ų5960.4 Ų60.423%0.23129%0.285CS..THydrogen-bonded Turntrans-102.1-7.4-179.6-60.3-66.8000114.4Q538 Y541 V585 A588 I647Q538-Y649 HydrophobicContact CB-CE1 4.35Å; Q538-Y649 HydrophobicContact CG-CE1 3.92Å; Q538-Y649 PolarHBondContact OE1-OH 3.48Å; Y541-Y649 PolarHBondContact N-O 2.87Å; V585-Y649 HydrophobicContact CG2-CD1 4.14Å; V585-Y649 HydrophobicContact CG2-CE1 4.14Å; A588-Y649 WeakPolarHBondContact CB-OH 3.38Å; A588-Y649 PolarHBondContact N-OH 3.48Å; I647-Y649 VanDerWaalsContact C-N 3.3Å; I647-Y649 PolarHBondContact O-N 2.9Å; I647-Y649 VanDerWaalsContact O-N 3.11Å
650N81.1Confident86.8Confident80 Ų8055.8 Ų55.843%0.42826%0.264SS..THydrogen-bonded Turntrans-113.7-5.9-170-62.9-61.4000113.9Y541 F646 I647Y541-N650 VanDerWaalsContact CE2-OD1 3.32Å; Y541-N650 WeakPolarHBondContact CE2-OD1 3.42Å; Y541-N650 PolarHBondContact OH-OD1 2.94Å; F646-N650 PolarHBondContact O-ND2 3.16Å; I647-N650 PolarHBondContact O-N 3.49Å
651V80.7Confident86.9Confident43 Ų4356.5 Ų56.526%0.26127%0.266SS..SBendtrans-128.5140.5-170.6175.40000110.5F583 I647 Y655 I656F583-V651 VanDerWaalsContact CZ-O 3.31Å; F583-V651 WeakPolarHBondContact CZ-O 3.39Å; I647-V651 HydrophobicContact CB-CB 4.27Å; I647-V651 HydrophobicContact CB-CG2 3.78Å; I647-V651 HydrophobicContact CG2-CG2 4.18Å; I647-V651 WeakPolarHBondContact O-CB 3.49Å; I647-V651 PolarHBondContact O-N 3.17Å; I647-V651 VanDerWaalsContact O-N 3.15Å; V651-Y655 HydrophobicContact CG1-CD2 4.11Å; V651-Y655 HydrophobicContact CG1-CG 4.41Å; V651-I656 HydrophobicContact CG1-CG1 4.48Å
652H80.2Confident87Confident32 Ų3259 Ų5915%0.14828%0.283CS..  trans-53.7135.4-179-164.1-103.6000112.1V369 I542 D654 Y655 I656V369-H652 VanDerWaalsContact CG1-NE2 3.32Å; V369-H652 WeakPolarHBondContact CG1-NE2 3.33Å; I542-H652 HydrophobicContact CD1-CB 3.72Å; I542-H652 VanDerWaalsContact CD1-CD2 3.49Å; I542-H652 WeakPolarHBondContact CD1-CD2 3.29Å; H652-D654 IonicContact CE1-OD2 3.62Å; H652-D654 PolarHBondContact CE1-OD2 2.99Å; H652-D654 IonicContact ND1-OD2 3.63Å; H652-D654 PolarHBondContact ND1-OD2 2.82Å; H652-D654 PolarHBondContact O-N 2.76Å; H652-D654 VanDerWaalsContact O-N 3.08Å; H652-Y655 HydrophobicContact CB-CD2 3.84Å; H652-Y655 HydrophobicContact CB-CE2 4.21Å; H652-Y655 PolarHBondContact O-N 2.61Å; H652-I656 PolarHBondContact O-N 2.97Å
653P82.9Confident87.2Confident24 Ų2453.9 Ų53.916%0.15626%0.255CS..Hα-helixtrans-57.9-28.1-173.919.9-33.1000113.9L371 F583 Y655 I656 F657L371-P653 HydrophobicContact CD2-CG 4.46Å; F583-P653 HydrophobicContact CB-CG 4.5Å; F583-P653 HydrophobicContact CD2-CB 4.49Å; F583-P653 HydrophobicContact CD2-CG 4.05Å; F583-P653 HydrophobicContact CG-CG 4.47Å; P653-Y655 PolarHBondContact O-N 3.14Å; P653-I656 PolarHBondContact O-N 3.31Å; P653-F657 WeakPolarHBondContact O-CB 3.17Å; P653-F657 PolarHBondContact O-N 3.07Å
654D83.7Confident87.4Confident6 Ų651.6 Ų51.63%0.03224%0.244CC..Hα-helixtrans-66.1-34.2176.2-66.6-34.5000113.4I376 H652 F657 L658I376-D654 HydrophobicContact CG2-CB 4.15Å; H652-D654 IonicContact CE1-OD2 3.62Å; H652-D654 PolarHBondContact CE1-OD2 2.99Å; H652-D654 IonicContact ND1-OD2 3.63Å; H652-D654 PolarHBondContact ND1-OD2 2.82Å; H652-D654 PolarHBondContact O-N 2.76Å; H652-D654 VanDerWaalsContact O-N 3.08Å; D654-F657 PolarHBondContact O-N 2.8Å; D654-L658 WeakPolarHBondContact O-CB 3.4Å; D654-L658 VanDerWaalsContact O-CG 3.3Å; D654-L658 WeakPolarHBondContact O-CG 3.33Å; D654-L658 PolarHBondContact O-N 3.31Å
655Y86.3Confident87.7Confident145 Ų14551.5 Ų51.557%0.56925%0.245SC*.Hα-helixtrans-71.7-35.3174-64.9-59.7000111.4V651 H652 P653 L658 L659V651-Y655 HydrophobicContact CG1-CD2 4.11Å; V651-Y655 HydrophobicContact CG1-CG 4.41Å; H652-Y655 HydrophobicContact CB-CD2 3.84Å; H652-Y655 HydrophobicContact CB-CE2 4.21Å; H652-Y655 PolarHBondContact O-N 2.61Å; P653-Y655 PolarHBondContact O-N 3.14Å; Y655-L658 HydrophobicContact CD1-CD1 4.47Å; Y655-L658 PolarHBondContact O-N 3.41Å; Y655-L659 WeakPolarHBondContact O-CG 3.27Å; Y655-L659 PolarHBondContact O-N 2.69Å
656I88Confident88.3Confident11 Ų1147.3 Ų47.36%0.05623%0.227CC..Hα-helixtrans-62.8-49.3172.6-59.4175.5000109.1W648 V651 H652 P653 L658 L659 Y660W648-I656 HydrophobicContact CE3-CD1 4.48Å; W648-I656 HydrophobicContact CE3-CG2 3.99Å; W648-I656 HydrophobicContact CZ3-CG2 3.84Å; V651-I656 HydrophobicContact CG1-CG1 4.48Å; H652-I656 PolarHBondContact O-N 2.97Å; P653-I656 PolarHBondContact O-N 3.31Å; I656-L658 VanDerWaalsContact C-N 3.35Å; I656-L658 PolarHBondContact O-N 2.91Å; I656-L659 PolarHBondContact O-N 3.09Å; I656-L659 VanDerWaalsContact O-N 3.12Å; I656-Y660 HydrophobicContact CG2-CD2 3.91Å; I656-Y660 HydrophobicContact CG2-CE2 3.9Å; I656-Y660 WeakPolarHBondContact O-CD2 3.08Å; I656-Y660 PolarHBondContact O-N 2.75Å
657F88.9Confident88.7Confident7 Ų740.6 Ų40.63%0.03120%0.198CC..Hα-helixtrans-54.2-46174.6173.2-106.1000112.6R377 P380 I429 M432 P653 D654 L659 Y660 F661R377-F657 HydrophobicContact CB-CE1 4.4Å; R377-F657 HydrophobicContact CG-CD1 3.91Å; R377-F657 HydrophobicContact CG-CE1 3.68Å; R377-F657 HydrophobicContact CG-CZ 4.1Å; P380-F657 HydrophobicContact CB-CE1 3.68Å; P380-F657 HydrophobicContact CB-CZ 3.99Å; P380-F657 HydrophobicContact CG-CE1 3.86Å; I429-F657 HydrophobicContact CG2-CD2 4.32Å; I429-F657 HydrophobicContact CG2-CE2 3.63Å; I429-F657 HydrophobicContact CG2-CZ 4.12Å; M432-F657 HydrophobicContact CB-CD2 3.82Å; M432-F657 HydrophobicContact CB-CE2 4.19Å; P653-F657 WeakPolarHBondContact O-CB 3.17Å; P653-F657 PolarHBondContact O-N 3.07Å; D654-F657 PolarHBondContact O-N 2.8Å; F657-L659 PolarHBondContact O-N 2.96Å; F657-Y660 PolarHBondContact O-N 2.94Å; F657-F661 WeakPolarHBondContact O-CB 3.4Å; F657-F661 PolarHBondContact O-N 3.35Å
658L89.9Confident89.1Confident52 Ų5239 Ų3927%0.27219%0.189SC..Hα-helixtrans-62.9-39.9175.7-74.5172.2000113I376 P380 D654 Y655 I656 F661 V662I376-L658 HydrophobicContact CG2-CD1 3.91Å; I376-L658 HydrophobicContact CG2-CG 4.48Å; P380-L658 HydrophobicContact CG-CD2 3.69Å; D654-L658 WeakPolarHBondContact O-CB 3.4Å; D654-L658 VanDerWaalsContact O-CG 3.3Å; D654-L658 WeakPolarHBondContact O-CG 3.33Å; D654-L658 PolarHBondContact O-N 3.31Å; Y655-L658 HydrophobicContact CD1-CD1 4.47Å; Y655-L658 PolarHBondContact O-N 3.41Å; I656-L658 VanDerWaalsContact C-N 3.35Å; I656-L658 PolarHBondContact O-N 2.91Å; L658-F661 PolarHBondContact O-N 3.43Å; L658-V662 WeakPolarHBondContact O-CG2 3.38Å; L658-V662 PolarHBondContact O-N 3.44Å
659L91.6Very high89.6Confident62 Ų6239.3 Ų39.333%0.32520%0.195SC..Hα-helixtrans-64.2-40.3175.8-73.9166.3000111.9L640 I647 Y655 I656 F657 V662 R663L640-L659 HydrophobicContact CD2-CB 4.24Å; L640-L659 HydrophobicContact CD2-CD2 4.25Å; I647-L659 HydrophobicContact CD1-CD1 3.58Å; Y655-L659 WeakPolarHBondContact O-CG 3.27Å; Y655-L659 PolarHBondContact O-N 2.69Å; I656-L659 PolarHBondContact O-N 3.09Å; I656-L659 VanDerWaalsContact O-N 3.12Å; F657-L659 PolarHBondContact O-N 2.96Å; L659-V662 PolarHBondContact O-N 2.9Å; L659-R663 PolarHBondContact O-N 3.2Å
660Y92.2Very high90.2Very high32 Ų3239.1 Ų39.113%0.12520%0.2CC..Hα-helixtrans-70.7-35.2174.8-84.4-92.5000112.9I429 M432 R644 W648 I656 F657 R663 S664I429-Y660 WeakPolarHBondContact CD1-O 3.47Å; M432-Y660 HydrophobicContact CE-CD1 3.78Å; M432-Y660 HydrophobicContact CE-CD2 3.98Å; M432-Y660 HydrophobicContact CE-CE1 4.05Å; M432-Y660 HydrophobicContact CE-CE2 4.25Å; M432-Y660 HydrophobicContact CE-CG 3.74Å; M432-Y660 HydrophobicContact SD-CD1 4.41Å; M432-Y660 HydrophobicContact SD-CD2 4.47Å; M432-Y660 HydrophobicContact SD-CG 4.01Å; R644-Y660 WeakPolarHBondContact CD-OH 3.45Å; W648-Y660 AromaticContact CZ3-CE2 3.93Å; W648-Y660 HydrophobicContact CZ3-CE2 3.93Å; I656-Y660 HydrophobicContact CG2-CD2 3.91Å; I656-Y660 HydrophobicContact CG2-CE2 3.9Å; I656-Y660 WeakPolarHBondContact O-CD2 3.08Å; I656-Y660 PolarHBondContact O-N 2.75Å; F657-Y660 PolarHBondContact O-N 2.94Å; Y660-R663 WeakPolarHBondContact O-CB 3.44Å; Y660-R663 PolarHBondContact O-N 3.45Å; Y660-S664 WeakPolarHBondContact O-CB 3.29Å; Y660-S664 PolarHBondContact O-N 3.06Å
661F93.8Very high90.9Very high35 Ų3535.3 Ų35.315%0.15418%0.18CC..Hα-helixtrans-60.9-48.7170.3168.4-101.3000111.6P380 F383 I429 F657 L658 R663 S664 H665P380-F661 HydrophobicContact CB-CB 4.44Å; P380-F661 HydrophobicContact CB-CD1 4.23Å; P380-F661 HydrophobicContact CB-CD2 3.62Å; P380-F661 HydrophobicContact CB-CE1 4.37Å; P380-F661 HydrophobicContact CB-CE2 3.76Å; P380-F661 HydrophobicContact CB-CG 3.85Å; P380-F661 HydrophobicContact CB-CZ 4.15Å; P380-F661 WeakPolarHBondContact O-CE2 3.38Å; F383-F661 HydrophobicContact CB-CE2 4.26Å; F383-F661 HydrophobicContact CB-CZ 4.26Å; F383-F661 AromaticContact CD1-CE2 3.92Å; F383-F661 HydrophobicContact CD1-CE2 3.92Å; F383-F661 AromaticContact CD1-CZ 3.79Å; F383-F661 HydrophobicContact CD1-CZ 3.79Å; F383-F661 HydrophobicContact CG-CZ 4.31Å; I429-F661 HydrophobicContact CG2-CB 4.38Å; F657-F661 WeakPolarHBondContact O-CB 3.4Å; F657-F661 PolarHBondContact O-N 3.35Å; L658-F661 PolarHBondContact O-N 3.43Å; F661-R663 VanDerWaalsContact C-N 3.34Å; F661-R663 PolarHBondContact O-N 2.99Å; F661-S664 WeakPolarHBondContact O-CB 3.29Å; F661-S664 PolarHBondContact O-N 3.26Å; F661-S664 VanDerWaalsContact O-N 3.16Å; F661-H665 AromaticContact CD2-CD2 3.68Å; F661-H665 AromaticContact CD2-NE2 3.53Å; F661-H665 AromaticContact CE2-CD2 3.41Å; F661-H665 VanDerWaalsContact CE2-CD2 3.41Å; F661-H665 WeakPolarHBondContact CE2-CD2 3.39Å; F661-H665 AromaticContact CE2-NE2 3.08Å; F661-H665 WeakPolarHBondContact CE2-NE2 3.35Å; F661-H665 AromaticContact CZ-CD2 3.62Å; F661-H665 AromaticContact CZ-NE2 3.67Å; F661-H665 PolarHBondContact O-CD2 3.03Å; F661-H665 VanDerWaalsContact O-CD2 3.29Å; F661-H665 PolarHBondContact O-N 3.35Å; F661-H665 VanDerWaalsContact O-N 3.15Å
662V93.9Very high91.5Very high73 Ų7334.1 Ų34.144%0.44217%0.171SC..Hα-helixtrans-60.9-42.1175.9170.40000111L658 L659 S664 H665 I666L658-V662 WeakPolarHBondContact O-CG2 3.38Å; L658-V662 PolarHBondContact O-N 3.44Å; L659-V662 PolarHBondContact O-N 2.9Å; V662-S664 PolarHBondContact O-N 2.84Å; V662-H665 PolarHBondContact O-N 2.96Å; V662-I666 HydrophobicContact CG1-CD1 3.61Å; V662-I666 HydrophobicContact CG1-CG1 4.36Å; V662-I666 VanDerWaalsContact O-CG1 3.32Å; V662-I666 WeakPolarHBondContact O-CG1 3.47Å; V662-I666 PolarHBondContact O-N 3.22Å
663R94.6Very high92.1Very high20 Ų2037.3 Ų37.38%0.07519%0.189CC..Hα-helixtrans-53-55.2170.6-172.1-178.5167.2-169.8-11.5111E633 V636 S637 L640 Y641 L659 Y660 F661 H665 I666 T667E633-R663 IonicContact OE1-NH2 2.76Å; E633-R663 PolarHBondContact OE1-NH2 3Å; V636-R663 HydrophobicContact CG1-CG 4.34Å; S637-R663 VanDerWaalsContact CB-NH2 3.3Å; S637-R663 PolarHBondContact OG-NE 2.97Å; S637-R663 PolarHBondContact OG-NH2 3.19Å; L640-R663 HydrophobicContact CD1-CB 3.46Å; L640-R663 VanDerWaalsContact CD1-CB 3.46Å; L640-R663 HydrophobicContact CD1-CG 3.62Å; Y641-R663 PolarHBondContact OH-NH1 2.91Å; Y641-R663 PolarHBondContact OH-NH2 3.39Å; L659-R663 PolarHBondContact O-N 3.2Å; Y660-R663 WeakPolarHBondContact O-CB 3.44Å; Y660-R663 PolarHBondContact O-N 3.45Å; F661-R663 VanDerWaalsContact C-N 3.34Å; F661-R663 PolarHBondContact O-N 2.99Å; R663-H665 PolarHBondContact O-N 3.18Å; R663-I666 PolarHBondContact O-N 3.43Å; R663-I666 VanDerWaalsContact O-N 3.15Å; R663-T667 HydrophobicContact CG-CG2 4.16Å; R663-T667 PolarHBondContact O-N 2.8Å; R663-T667 PolarHBondContact O-OG1 3.37Å
664S94.3Very high92.6Very high8 Ų838.1 Ų38.16%0.05619%0.192CC..Hα-helixtrans-56.3-37.7-174.2-168.80000112.1Q384 Y426 Y660 F661 V662 V668Q384-S664 PolarHBondContact NE2-OG 2.9Å; Y426-S664 WeakPolarHBondContact CD1-OG 3.42Å; Y660-S664 WeakPolarHBondContact O-CB 3.29Å; Y660-S664 PolarHBondContact O-N 3.06Å; F661-S664 WeakPolarHBondContact O-CB 3.29Å; F661-S664 PolarHBondContact O-N 3.26Å; F661-S664 VanDerWaalsContact O-N 3.16Å; V662-S664 PolarHBondContact O-N 2.84Å; S664-V668 WeakPolarHBondContact O-CA 3.08Å; S664-V668 WeakPolarHBondContact O-CB 3.01Å; S664-V668 WeakPolarHBondContact O-CG2 3.08Å; S664-V668 PolarHBondContact O-N 3.41Å
665H95.2Very high92.9Very high25 Ų2538.1 Ų38.112%0.11619%0.192CC..Iπ-helixtrans-79.5-39.1177.5-70-57.5000113.6F383 Q384 F661 V662 R663 T669 V670F383-H665 AromaticContact CD1-CE1 3.62Å; F383-H665 AromaticContact CD1-NE2 3.43Å; F383-H665 WeakPolarHBondContact CD1-NE2 3.37Å; F383-H665 AromaticContact CE1-CE1 3.53Å; F383-H665 AromaticContact CE1-ND1 3.81Å; F383-H665 AromaticContact CE1-NE2 3.67Å; Q384-H665 PolarHBondContact OE1-CE1 3.03Å; Q384-H665 PolarHBondContact OE1-NE2 2.8Å; F661-H665 AromaticContact CD2-CD2 3.68Å; F661-H665 AromaticContact CD2-NE2 3.53Å; F661-H665 AromaticContact CE2-CD2 3.41Å; F661-H665 VanDerWaalsContact CE2-CD2 3.41Å; F661-H665 WeakPolarHBondContact CE2-CD2 3.39Å; F661-H665 AromaticContact CE2-NE2 3.08Å; F661-H665 WeakPolarHBondContact CE2-NE2 3.35Å; F661-H665 AromaticContact CZ-CD2 3.62Å; F661-H665 AromaticContact CZ-NE2 3.67Å; F661-H665 PolarHBondContact O-CD2 3.03Å; F661-H665 VanDerWaalsContact O-CD2 3.29Å; F661-H665 PolarHBondContact O-N 3.35Å; F661-H665 VanDerWaalsContact O-N 3.15Å; V662-H665 PolarHBondContact O-N 2.96Å; R663-H665 PolarHBondContact O-N 3.18Å; H665-T669 PolarHBondContact ND1-OG1 2.92Å; H665-T669 WeakPolarHBondContact O-CA 3.47Å; H665-T669 WeakPolarHBondContact O-CB 3.07Å; H665-T669 PolarHBondContact O-N 3.36Å; H665-T669 VanDerWaalsContact O-N 3.13Å; H665-V670 PolarHBondContact O-N 2.87Å
666I95.3Very high93Very high68 Ų6832.1 Ų32.135%0.34917%0.169SC..Iπ-helixtrans-66.5-38.5176.6-61.6171.2000110.9I632 V636 V662 R663 V670I632-I666 HydrophobicContact CG2-CG2 4.07Å; I632-I666 WeakPolarHBondContact CG2-O 3.21Å; V636-I666 HydrophobicContact CB-CG2 4.48Å; V636-I666 HydrophobicContact CG1-CB 4.34Å; V636-I666 HydrophobicContact CG1-CG2 4.19Å; V636-I666 HydrophobicContact CG2-CG2 3.69Å; V662-I666 HydrophobicContact CG1-CD1 3.61Å; V662-I666 HydrophobicContact CG1-CG1 4.36Å; V662-I666 VanDerWaalsContact O-CG1 3.32Å; V662-I666 WeakPolarHBondContact O-CG1 3.47Å; V662-I666 PolarHBondContact O-N 3.22Å; R663-I666 PolarHBondContact O-N 3.43Å; R663-I666 VanDerWaalsContact O-N 3.15Å; I666-V670 VanDerWaalsContact O-CB 3.27Å; I666-V670 WeakPolarHBondContact O-CB 3.35Å; I666-V670 WeakPolarHBondContact O-CG2 3.39Å
667T95.6Very high93Very high5 Ų534.9 Ų34.93%0.03119%0.186CC..Iπ-helixtrans-87.2-46-179.367.50000113.6E633 V636 R663 N671E633-T667 WeakPolarHBondContact OE2-CB 3.34Å; V636-T667 HydrophobicContact CB-CG2 4.03Å; V636-T667 HydrophobicContact CG1-CG2 3.99Å; R663-T667 HydrophobicContact CG-CG2 4.16Å; R663-T667 PolarHBondContact O-N 2.8Å; R663-T667 PolarHBondContact O-OG1 3.37Å; T667-N671 WeakPolarHBondContact O-CB 3.45Å; T667-N671 PolarHBondContact O-ND2 3.02Å
668V95.7Very high92.8Very high2 Ų235.9 Ų35.91%0.01219%0.193CC..Iπ-helixtrans-84.2-53.3-176.4-170.40000111.2A422 L425 Y426 M455 S664 N671 L672A422-V668 HydrophobicContact CB-CG1 3.69Å; L425-V668 HydrophobicContact CB-CG2 3.87Å; L425-V668 HydrophobicContact CD1-CG2 3.91Å; Y426-V668 HydrophobicContact CD1-CB 4.41Å; Y426-V668 HydrophobicContact CD1-CG1 4.4Å; Y426-V668 HydrophobicContact CD2-CG1 4.4Å; Y426-V668 HydrophobicContact CE1-CB 3.76Å; Y426-V668 HydrophobicContact CE1-CG1 3.83Å; Y426-V668 HydrophobicContact CE1-CG2 4.48Å; Y426-V668 HydrophobicContact CE2-CG1 3.81Å; M455-V668 HydrophobicContact CE-CG1 4.5Å; M455-V668 HydrophobicContact SD-CG1 4.1Å; S664-V668 WeakPolarHBondContact O-CA 3.08Å; S664-V668 WeakPolarHBondContact O-CB 3.01Å; S664-V668 WeakPolarHBondContact O-CG2 3.08Å; S664-V668 PolarHBondContact O-N 3.41Å; V668-N671 PolarHBondContact O-N 3.04Å; V668-L672 HydrophobicContact CG1-CD1 3.95Å; V668-L672 HydrophobicContact CG1-CG 4.36Å; V668-L672 WeakPolarHBondContact O-CB 3.31Å; V668-L672 VanDerWaalsContact O-CG 3.27Å; V668-L672 WeakPolarHBondContact O-CG 3.49Å; V668-L672 PolarHBondContact O-N 2.72Å
669T95.2Very high92.5Very high37 Ų3735.5 Ų35.523%0.22719%0.189CC..Iπ-helixtrans-67.4-43.2-173.2-45.60000112.1Y426 H665 L672 L673Y426-T669 WeakPolarHBondContact OH-CA 3.35Å; Y426-T669 PolarHBondContact OH-N 3Å; Y426-T669 PolarHBondContact OH-OG1 3.23Å; H665-T669 PolarHBondContact ND1-OG1 2.92Å; H665-T669 WeakPolarHBondContact O-CA 3.47Å; H665-T669 WeakPolarHBondContact O-CB 3.07Å; H665-T669 PolarHBondContact O-N 3.36Å; H665-T669 VanDerWaalsContact O-N 3.13Å; T669-L672 PolarHBondContact O-N 3.46Å; T669-L673 HydrophobicContact CG2-CD1 4.36Å; T669-L673 VanDerWaalsContact O-CG 3.32Å; T669-L673 WeakPolarHBondContact O-CG 3.46Å; T669-L673 PolarHBondContact O-N 3.02Å
670V95.4Very high91.9Very high55 Ų5535.4 Ų35.433%0.33319%0.191SC..Hα-helixtrans-65.4-42.1177-173.20000111.2I632 H665 I666 L673 L674I632-V670 HydrophobicContact CD1-CG1 4.11Å; H665-V670 PolarHBondContact O-N 2.87Å; I666-V670 VanDerWaalsContact O-CB 3.27Å; I666-V670 WeakPolarHBondContact O-CB 3.35Å; I666-V670 WeakPolarHBondContact O-CG2 3.39Å; V670-L673 PolarHBondContact O-N 3.2Å; V670-L674 HydrophobicContact CG1-CD1 3.97Å; V670-L674 HydrophobicContact CG1-CG 4.19Å; V670-L674 WeakPolarHBondContact O-CB 3.41Å; V670-L674 WeakPolarHBondContact O-CG 3.11Å; V670-L674 PolarHBondContact O-N 3.49Å
671N94.9Very high91.3Very high0 Ų037.1 Ų37.10%021%0.205CC..Hα-helixtrans-66.4-40.2179.1-71.8-9.2000112.2M455 Y456 A629 T667 V668 L673 L674 I675M455-N671 HydrophobicContact CE-CB 3.85Å; Y456-N671 PolarHBondContact OH-ND2 3.39Å; A629-N671 WeakPolarHBondContact CA-OD1 3.38Å; A629-N671 HydrophobicContact CB-CB 4.06Å; A629-N671 VanDerWaalsContact CB-CG 3.49Å; A629-N671 VanDerWaalsContact CB-OD1 3.25Å; A629-N671 WeakPolarHBondContact CB-OD1 3.31Å; A629-N671 PolarHBondContact O-ND2 3.27Å; A629-N671 PolarHBondContact O-OD1 3.05Å; T667-N671 WeakPolarHBondContact O-CB 3.45Å; T667-N671 PolarHBondContact O-ND2 3.02Å; V668-N671 PolarHBondContact O-N 3.04Å; N671-L673 VanDerWaalsContact C-N 3.34Å; N671-L673 PolarHBondContact O-N 3.18Å; N671-L674 PolarHBondContact O-N 3.07Å; N671-I675 WeakPolarHBondContact O-CB 3.49Å; N671-I675 WeakPolarHBondContact O-CD1 3.09Å; N671-I675 VanDerWaalsContact O-CG1 3.24Å; N671-I675 WeakPolarHBondContact O-CG1 3.03Å; N671-I675 PolarHBondContact O-N 2.81Å
672L94Very high90.3Very high17 Ų1737.8 Ų37.89%0.08921%0.208CC..Hα-helixtrans-57.6-46.4171-73.1172.2000111.3M418 L419 A422 Y426 V668 T669 I675 F676M418-L672 HydrophobicContact CE-CD2 4.29Å; L419-L672 HydrophobicContact CD2-CD2 3.98Å; A422-L672 HydrophobicContact CB-CD1 4.04Å; A422-L672 HydrophobicContact CB-CD2 4.11Å; A422-L672 HydrophobicContact CB-CG 4.41Å; Y426-L672 HydrophobicContact CE2-CD1 4.17Å; V668-L672 HydrophobicContact CG1-CD1 3.95Å; V668-L672 HydrophobicContact CG1-CG 4.36Å; V668-L672 WeakPolarHBondContact O-CB 3.31Å; V668-L672 VanDerWaalsContact O-CG 3.27Å; V668-L672 WeakPolarHBondContact O-CG 3.49Å; V668-L672 PolarHBondContact O-N 2.72Å; T669-L672 PolarHBondContact O-N 3.46Å; L672-I675 PolarHBondContact O-N 3.42Å; L672-F676 HydrophobicContact CB-CD2 4.5Å; L672-F676 HydrophobicContact CD2-CD2 4.06Å; L672-F676 HydrophobicContact CD2-CE2 3.75Å; L672-F676 WeakPolarHBondContact O-CB 3.35Å; L672-F676 WeakPolarHBondContact O-CD2 3.35Å; L672-F676 PolarHBondContact O-N 2.91Å
673L93Very high89.3Confident99 Ų9938 Ų3852%0.51821%0.206SC..Hα-helixtrans-63.1-48.1178.1-70.7169.8000112T669 V670 N671 I675 F676 V677T669-L673 HydrophobicContact CG2-CD1 4.36Å; T669-L673 VanDerWaalsContact O-CG 3.32Å; T669-L673 WeakPolarHBondContact O-CG 3.46Å; T669-L673 PolarHBondContact O-N 3.02Å; V670-L673 PolarHBondContact O-N 3.2Å; N671-L673 VanDerWaalsContact C-N 3.34Å; N671-L673 PolarHBondContact O-N 3.18Å; L673-I675 PolarHBondContact O-N 3.41Å; L673-F676 PolarHBondContact O-N 2.85Å; L673-V677 HydrophobicContact CB-CG2 4.27Å; L673-V677 HydrophobicContact CD2-CG2 3.85Å; L673-V677 WeakPolarHBondContact O-CB 3.42Å; L673-V677 VanDerWaalsContact O-CG2 3.23Å; L673-V677 WeakPolarHBondContact O-CG2 3.05Å; L673-V677 PolarHBondContact O-N 3.08Å
674L92.8Very high88.2Confident42 Ų4240.2 Ų40.222%0.2222%0.224CC..Hα-helixtrans-58-35178-72.2171.7000112.8Y625 V628 I632 V670 N671 P678Y625-L674 HydrophobicContact CD1-CD2 4.17Å; V628-L674 HydrophobicContact CG1-CD1 3.99Å; I632-L674 HydrophobicContact CD1-CD1 3.74Å; V670-L674 HydrophobicContact CG1-CD1 3.97Å; V670-L674 HydrophobicContact CG1-CG 4.19Å; V670-L674 WeakPolarHBondContact O-CB 3.41Å; V670-L674 WeakPolarHBondContact O-CG 3.11Å; V670-L674 PolarHBondContact O-N 3.49Å; N671-L674 PolarHBondContact O-N 3.07Å; L674-P678 VanDerWaalsContact O-CD 3.23Å; L674-P678 WeakPolarHBondContact O-CD 3.4Å; L674-P678 WeakPolarHBondContact O-CG 3.45Å
675I90.7Very high87.2Confident6 Ų648.9 Ų48.93%0.03126%0.256CS..Hα-helixtrans-89-36.1-176.1-64.4163.3000112.4M415 M418 L459 A629 N671 L672 L673 K679M415-I675 HydrophobicContact CE-CG2 3.97Å; M418-I675 HydrophobicContact CE-CB 4.4Å; M418-I675 HydrophobicContact CE-CG2 3.79Å; M418-I675 HydrophobicContact SD-CD1 4.27Å; M418-I675 HydrophobicContact SD-CG2 4.19Å; L459-I675 HydrophobicContact CD1-CD1 3.96Å; L459-I675 HydrophobicContact CD2-CD1 3.65Å; L459-I675 HydrophobicContact CG-CD1 4.49Å; A629-I675 HydrophobicContact CB-CD1 4.46Å; N671-I675 WeakPolarHBondContact O-CB 3.49Å; N671-I675 WeakPolarHBondContact O-CD1 3.09Å; N671-I675 VanDerWaalsContact O-CG1 3.24Å; N671-I675 WeakPolarHBondContact O-CG1 3.03Å; N671-I675 PolarHBondContact O-N 2.81Å; L672-I675 PolarHBondContact O-N 3.42Å; L673-I675 PolarHBondContact O-N 3.41Å; I675-K679 WeakPolarHBondContact O-CE 3.27Å
676F89.2Confident85.7Confident18 Ų1850.9 Ų50.98%0.07927%0.272CS..Hα-helixtrans-92.4-36.7-177-77.5-72.5000114.1F394 M415 M418 L419 L672 L673 K679 V680F394-F676 AromaticContact CE1-CD1 3.53Å; F394-F676 HydrophobicContact CE1-CD1 3.53Å; F394-F676 AromaticContact CE1-CD2 3.98Å; F394-F676 HydrophobicContact CE1-CD2 3.98Å; F394-F676 AromaticContact CE1-CE1 3.47Å; F394-F676 HydrophobicContact CE1-CE1 3.47Å; F394-F676 VanDerWaalsContact CE1-CE1 3.47Å; F394-F676 AromaticContact CE1-CE2 3.93Å; F394-F676 HydrophobicContact CE1-CE2 3.93Å; F394-F676 AromaticContact CE1-CG 3.78Å; F394-F676 HydrophobicContact CE1-CG 3.78Å; F394-F676 AromaticContact CE1-CZ 3.68Å; F394-F676 HydrophobicContact CE1-CZ 3.68Å; F394-F676 AromaticContact CZ-CD1 3.59Å; F394-F676 HydrophobicContact CZ-CD1 3.59Å; F394-F676 AromaticContact CZ-CE1 3.81Å; F394-F676 HydrophobicContact CZ-CE1 3.81Å; F394-F676 HydrophobicContact CZ-CG 4.06Å; F394-F676 HydrophobicContact CZ-CZ 4.47Å; M415-F676 HydrophobicContact CB-CE1 4.16Å; M415-F676 HydrophobicContact CB-CZ 4.25Å; M415-F676 HydrophobicContact CE-CD1 3.71Å; M415-F676 HydrophobicContact CE-CE1 3.25Å; M415-F676 HydrophobicContact CE-CE2 4.36Å; M415-F676 HydrophobicContact CE-CG 4.45Å; M415-F676 HydrophobicContact CE-CZ 3.62Å; M418-F676 HydrophobicContact CE-CD2 3.95Å; M418-F676 HydrophobicContact CE-CE2 3.2Å; M418-F676 HydrophobicContact CE-CZ 3.59Å; L419-F676 HydrophobicContact CD1-CZ 3.98Å; L419-F676 HydrophobicContact CD2-CE2 3.75Å; L419-F676 HydrophobicContact CD2-CZ 4.01Å; L419-F676 HydrophobicContact CG-CE2 4.11Å; L419-F676 HydrophobicContact CG-CZ 3.88Å; L672-F676 HydrophobicContact CB-CD2 4.5Å; L672-F676 HydrophobicContact CD2-CD2 4.06Å; L672-F676 HydrophobicContact CD2-CE2 3.75Å; L672-F676 WeakPolarHBondContact O-CB 3.35Å; L672-F676 WeakPolarHBondContact O-CD2 3.35Å; L672-F676 PolarHBondContact O-N 2.91Å; L673-F676 PolarHBondContact O-N 2.85Å; F676-K679 PolarHBondContact O-N 3.48Å; F676-K679 VanDerWaalsContact O-N 3.12Å; F676-V680 WeakPolarHBondContact O-CG2 3.43Å; F676-V680 PolarHBondContact O-N 2.96Å
677V86.8Confident83.9Confident69 Ų6951.1 Ų51.142%0.41828%0.28SS..Hα-helixtrans-60.7-43.9-175.2174.50000112.7L673 K679 T681L673-V677 HydrophobicContact CB-CG2 4.27Å; L673-V677 HydrophobicContact CD2-CG2 3.85Å; L673-V677 WeakPolarHBondContact O-CB 3.42Å; L673-V677 VanDerWaalsContact O-CG2 3.23Å; L673-V677 WeakPolarHBondContact O-CG2 3.05Å; L673-V677 PolarHBondContact O-N 3.08Å; V677-K679 VanDerWaalsContact C-N 3.28Å; V677-K679 PolarHBondContact O-N 2.03Å; V677-T681 HydrophobicContact CG1-CG2 3.98Å; V677-T681 WeakPolarHBondContact O-CB 3.18Å; V677-T681 VanDerWaalsContact O-CG2 3.27Å; V677-T681 WeakPolarHBondContact O-CG2 3.23Å; V677-T681 PolarHBondContact O-N 3.32Å; V677-T681 PolarHBondContact O-OG1 2.96Å
678P84.9Confident81.9Confident28 Ų2857.9 Ų57.918%0.18231%0.309CS..Hα-helixtrans-58.9-38.5175.3-25.435.8000112.9Y625 L674 T681 F682Y625-P678 HydrophobicContact CD2-CG 4.15Å; Y625-P678 HydrophobicContact CE2-CB 4.48Å; Y625-P678 HydrophobicContact CE2-CG 4.04Å; Y625-P678 HydrophobicContact CG-CG 4.49Å; L674-P678 VanDerWaalsContact O-CD 3.23Å; L674-P678 WeakPolarHBondContact O-CD 3.4Å; L674-P678 WeakPolarHBondContact O-CG 3.45Å; P678-T681 PolarHBondContact O-OG1 3.21Å; P678-F682 WeakPolarHBondContact O-CB 3.37Å; P678-F682 PolarHBondContact O-N 3.34Å; P678-F682 VanDerWaalsContact O-N 3.16Å
679K82.6Confident79.6Confident45 Ų4560.5 Ų60.520%0.19633%0.327CS..Hα-helixtrans-73.9-47.2-178.4-55.2-169-171.8-151.50112.2M415 E622 I675 F676 V677 F682 L683M415-K679 HydrophobicContact CE-CD 4.2Å; E622-K679 WeakPolarHBondContact OE1-CE 3.45Å; E622-K679 IonicContact OE1-NZ 3.32Å; E622-K679 PolarHBondContact OE1-NZ 3.34Å; E622-K679 VanDerWaalsContact OE2-CE 3.27Å; E622-K679 WeakPolarHBondContact OE2-CE 3.14Å; E622-K679 IonicContact OE2-NZ 3.11Å; E622-K679 PolarHBondContact OE2-NZ 2.94Å; I675-K679 WeakPolarHBondContact O-CE 3.27Å; F676-K679 PolarHBondContact O-N 3.48Å; F676-K679 VanDerWaalsContact O-N 3.12Å; V677-K679 VanDerWaalsContact C-N 3.28Å; V677-K679 PolarHBondContact O-N 2.03Å; K679-F682 PolarHBondContact O-N 2.85Å; K679-L683 WeakPolarHBondContact O-CG 3.4Å; K679-L683 PolarHBondContact O-N 2.98Å
680V80.8Confident77.4Confident60 Ų6065.3 Ų65.336%0.36435%0.351SS..Hα-helixtrans-65.2-43.2178.7174.50000110.7F394 F676 F682 L683 C684F394-V680 HydrophobicContact CZ-CG2 4.39Å; F676-V680 WeakPolarHBondContact O-CG2 3.43Å; F676-V680 PolarHBondContact O-N 2.96Å; V680-F682 VanDerWaalsContact C-N 3.31Å; V680-F682 PolarHBondContact O-N 3.48Å; V680-L683 PolarHBondContact O-N 3.01Å; V680-C684 WeakPolarHBondContact O-CB 3.42Å; V680-C684 PolarHBondContact O-N 2.91Å; V680-C684 PolarHBondContact O-SG 3.39Å; V680-C684 VanDerWaalsContact O-SG 3.32Å
681T79.4Confident74.8Confident68 Ų6866.3 Ų66.342%0.41736%0.359SS..Hα-helixtrans-65.2-33.5177.355.90000112.5V677 P678 R685V677-T681 HydrophobicContact CG1-CG2 3.98Å; V677-T681 WeakPolarHBondContact O-CB 3.18Å; V677-T681 VanDerWaalsContact O-CG2 3.27Å; V677-T681 WeakPolarHBondContact O-CG2 3.23Å; V677-T681 PolarHBondContact O-N 3.32Å; V677-T681 PolarHBondContact O-OG1 2.96Å; P678-T681 PolarHBondContact O-OG1 3.21Å; T681-R685 VanDerWaalsContact O-CG 3.24Å; T681-R685 WeakPolarHBondContact O-CG 3.31Å; T681-R685 PolarHBondContact O-N 3.35Å; T681-R685 VanDerWaalsContact O-N 3.07Å
682F72.3Confident72.4Confident49 Ų4972 Ų7222%0.21539%0.39CS..Hα-helixtrans-67.1-48.7172.4-174.6-101.2000112.7Y620 P678 K679 V680 C684 R685 S686Y620-F682 HydrophobicContact CD1-CB 4.27Å; Y620-F682 HydrophobicContact CD1-CD2 4.2Å; Y620-F682 HydrophobicContact CD1-CG 4.1Å; Y620-F682 HydrophobicContact CE1-CB 4Å; Y620-F682 AromaticContact CE1-CD1 3.53Å; Y620-F682 HydrophobicContact CE1-CD1 3.53Å; Y620-F682 AromaticContact CE1-CD2 3.58Å; Y620-F682 HydrophobicContact CE1-CD2 3.58Å; Y620-F682 AromaticContact CE1-CE1 3.79Å; Y620-F682 HydrophobicContact CE1-CE1 3.79Å; Y620-F682 AromaticContact CE1-CE2 3.83Å; Y620-F682 HydrophobicContact CE1-CE2 3.83Å; Y620-F682 AromaticContact CE1-CG 3.4Å; Y620-F682 HydrophobicContact CE1-CG 3.4Å; Y620-F682 VanDerWaalsContact CE1-CG 3.4Å; Y620-F682 AromaticContact CE1-CZ 3.93Å; Y620-F682 HydrophobicContact CE1-CZ 3.93Å; Y620-F682 AromaticContact CZ-CD1 3.83Å; Y620-F682 AromaticContact CZ-CE1 3.92Å; Y620-F682 WeakPolarHBondContact OH-CE1 3.45Å; P678-F682 WeakPolarHBondContact O-CB 3.37Å; P678-F682 PolarHBondContact O-N 3.34Å; P678-F682 VanDerWaalsContact O-N 3.16Å; K679-F682 PolarHBondContact O-N 2.85Å; V680-F682 VanDerWaalsContact C-N 3.31Å; V680-F682 PolarHBondContact O-N 3.48Å; F682-C684 VanDerWaalsContact C-N 3.3Å; F682-C684 PolarHBondContact O-N 3.16Å; F682-R685 WeakPolarHBondContact O-CA 3.22Å; F682-R685 WeakPolarHBondContact O-CB 3.38Å; F682-R685 PolarHBondContact O-N 3.12Å; F682-S686 PolarHBondContact O-N 2.96Å
683L71.8Confident70.1Confident77 Ų7776.7 Ų76.740%0.40342%0.419SS..Hα-helixtrans-55.8-44.4176-71.6166.3000111.6K679 V680 R685 S686 S687K679-L683 WeakPolarHBondContact O-CG 3.4Å; K679-L683 PolarHBondContact O-N 2.98Å; V680-L683 PolarHBondContact O-N 3.01Å; L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.86Å; L683-S686 PolarHBondContact O-N 3.09Å; L683-S687 WeakPolarHBondContact O-CB 3.42Å; L683-S687 PolarHBondContact O-N 2.89Å
684C71.6Confident67.6Low66 Ų6676.1 Ų76.145%0.44643%0.429SS..Hα-helixtrans-64.6-30174.8-71.30000113.5V680 F682 K688V680-C684 WeakPolarHBondContact O-CB 3.42Å; V680-C684 PolarHBondContact O-N 2.91Å; V680-C684 PolarHBondContact O-SG 3.39Å; V680-C684 VanDerWaalsContact O-SG 3.32Å; F682-C684 VanDerWaalsContact C-N 3.3Å; F682-C684 PolarHBondContact O-N 3.16Å; C684-K688 WeakPolarHBondContact O-CB 3.36Å; C684-K688 VanDerWaalsContact O-CG 3.26Å; C684-K688 WeakPolarHBondContact O-CG 3.19Å; C684-K688 PolarHBondContact O-N 3.25Å
685R73.6Confident64.9Low191 Ų19184.9 Ų84.972%0.72146%0.459SS*.Hα-helixtrans-76.3-39.7174.9-74.5172104.1149.75.9112.1T681 F682 L683 K688 S689T681-R685 VanDerWaalsContact O-CG 3.24Å; T681-R685 WeakPolarHBondContact O-CG 3.31Å; T681-R685 PolarHBondContact O-N 3.35Å; T681-R685 VanDerWaalsContact O-N 3.07Å; F682-R685 WeakPolarHBondContact O-CA 3.22Å; F682-R685 WeakPolarHBondContact O-CB 3.38Å; F682-R685 PolarHBondContact O-N 3.12Å; L683-R685 VanDerWaalsContact C-N 3.31Å; L683-R685 PolarHBondContact O-N 2.86Å; R685-K688 PolarHBondContact O-N 2.66Å; R685-S689 PolarHBondContact O-N 2.81Å
686S63Low62.5Low67 Ų6793.1 Ų93.147%0.46950%0.498SS..Hα-helixtrans-60.3-49.8173.7-176.20000111.2F682 L683 K688 S689 L690F682-S686 PolarHBondContact O-N 2.96Å; L683-S686 PolarHBondContact O-N 3.09Å; S686-K688 PolarHBondContact O-N 3.19Å; S686-S689 WeakPolarHBondContact O-CA 3.47Å; S686-S689 VanDerWaalsContact O-CB 3.26Å; S686-S689 WeakPolarHBondContact O-CB 3.49Å; S686-S689 PolarHBondContact O-N 3.11Å; S686-L690 PolarHBondContact O-N 3.22Å
687S59.1Low59.7Low73 Ų73104.3 Ų104.351%0.5154%0.539SS..Hα-helixtrans-56.6-44.2174.9177.50000113L683 S689 L690 C691L683-S687 WeakPolarHBondContact O-CB 3.42Å; L683-S687 PolarHBondContact O-N 2.89Å; S687-S689 VanDerWaalsContact C-N 3.31Å; S687-S689 PolarHBondContact O-N 2.74Å; S687-L690 PolarHBondContact O-N 2.92Å; S687-C691 PolarHBondContact O-N 3.12Å; S687-C691 VanDerWaalsContact O-N 3.1Å
688K53.5Low57.1Low147 Ų147104.7 Ų104.764%0.63956%0.558SS**Hα-helixtrans-64.9-30.8174.9-76.5176.3180-175.10113.5C684 R685 S686 N692C684-K688 WeakPolarHBondContact O-CB 3.36Å; C684-K688 VanDerWaalsContact O-CG 3.26Å; C684-K688 WeakPolarHBondContact O-CG 3.19Å; C684-K688 PolarHBondContact O-N 3.25Å; R685-K688 PolarHBondContact O-N 2.66Å; S686-K688 PolarHBondContact O-N 3.19Å; K688-N692 WeakPolarHBondContact O-CB 3.42Å; K688-N692 VanDerWaalsContact O-CG 3.3Å; K688-N692 PolarHBondContact O-N 2.75Å; K688-N692 VanDerWaalsContact O-N 3.12Å
689S47.9Very low54.7Low57 Ų57109.1 Ų109.140%0.39959%0.589SS.*Hα-helixtrans-62.9-46.3173.3-161.70000110.9R685 S686 S687 N692 T693R685-S689 PolarHBondContact O-N 2.81Å; S686-S689 WeakPolarHBondContact O-CA 3.47Å; S686-S689 VanDerWaalsContact O-CB 3.26Å; S686-S689 WeakPolarHBondContact O-CB 3.49Å; S686-S689 PolarHBondContact O-N 3.11Å; S687-S689 VanDerWaalsContact C-N 3.31Å; S687-S689 PolarHBondContact O-N 2.74Å; S689-N692 PolarHBondContact O-N 3.32Å; S689-T693 PolarHBondContact O-N 3.34Å; S689-T693 PolarHBondContact O-OG1 2.74Å
690L48.1Very low52.5Low137 Ų137113.2 Ų113.272%0.71762%0.62SS**Hα-helixtrans-61-45.9177.7-126.569.4000112.2S686 S687 N692 T693 A694S686-L690 PolarHBondContact O-N 3.22Å; S687-L690 PolarHBondContact O-N 2.92Å; L690-N692 VanDerWaalsContact C-N 3.31Å; L690-N692 PolarHBondContact O-N 3.23Å; L690-T693 PolarHBondContact O-N 3.03Å; L690-A694 PolarHBondContact O-N 3.41Å
691C40.2Very low50.3Low76 Ų76113.7 Ų113.751%0.51464%0.638SS.*Hα-helixtrans-64.7-31.2178.2-72.40000113.7S687S687-C691 PolarHBondContact O-N 3.12Å; S687-C691 VanDerWaalsContact O-N 3.1Å
692N44Very low48.2Very low119 Ų119116.5 Ų116.564%0.63665%0.654SS**Hα-helixtrans-73.3-35.4178.9-77.2-3.7000112.3K688 S689 L690 A694 R695K688-N692 WeakPolarHBondContact O-CB 3.42Å; K688-N692 VanDerWaalsContact O-CG 3.3Å; K688-N692 PolarHBondContact O-N 2.75Å; K688-N692 VanDerWaalsContact O-N 3.12Å; S689-N692 PolarHBondContact O-N 3.32Å; L690-N692 VanDerWaalsContact C-N 3.31Å; L690-N692 PolarHBondContact O-N 3.23Å; N692-A694 VanDerWaalsContact C-N 3.31Å; N692-A694 PolarHBondContact O-N 2.91Å; N692-R695 PolarHBondContact O-N 2.83Å
693T47.2Very low46.3Very low116 Ų116120.4 Ų120.471%0.71268%0.682SS**Hα-helixtrans-68.2-31.2174.7-47.30000112.1S689 L690 R695S689-T693 PolarHBondContact O-N 3.34Å; S689-T693 PolarHBondContact O-OG1 2.74Å; L690-T693 PolarHBondContact O-N 3.03Å; T693-R695 VanDerWaalsContact C-N 3.26Å; T693-R695 PolarHBondContact O-N 2.85Å
694A40.5Very low44.8Very low88 Ų88126.7 Ų126.773%0.72770%0.702SS**THydrogen-bonded Turntrans-73-9.1179.200000114.9L690 N692L690-A694 PolarHBondContact O-N 3.41Å; N692-A694 VanDerWaalsContact C-N 3.31Å; N692-A694 PolarHBondContact O-N 2.91Å
695R35.8Very low43.2Very low226 Ų226129.5 Ų129.585%0.85372%0.719SS**THydrogen-bonded Turntrans-108.69.7-167.8-125.7174.5-175.61750.5116.3N692 T693N692-R695 PolarHBondContact O-N 2.83Å; T693-R695 VanDerWaalsContact C-N 3.26Å; T693-R695 PolarHBondContact O-N 2.85Å
696Q39.5Very low41.3Very low179 Ų179123.6 Ų123.684%0.83672%0.718SS**  trans-11280.5173.6-71.3-168.4-10.300112.7
697R30.9Very low39.9Very low252 Ų252127.8 Ų127.895%0.95174%0.735SS**  trans-142104.1160.8-88-173.9171.2157.2-1.4109
698G31.3Very low38.8Very low78 Ų78129.4 Ų129.480%0.80474%0.744SS**  trans175.455.9-174.100000116.5
699S35.4Very low37.9Very low120 Ų120130.9 Ų130.984%0.83975%0.752SS**  trans-178.3141.9137.8-104.50000111.5
700P36.1Very low37.2Very low131 Ų131135.7 Ų135.785%0.85177%0.773SS**  trans-87.9148.9175.835.4-33.3000111.9
701G34.7Very low36.9Very low71 Ų71135.3 Ų135.373%0.73278%0.778SS**  trans-164.995.7178.700000114.4
702V35.9Very low36.6Very low127 Ų127136.5 Ų136.577%0.7779%0.788SS**  trans58.3124.9161.6-1710000117.9Y704V702-Y704 HydrophobicContact CG1-CD2 4.02Å; V702-Y704 HydrophobicContact CG1-CE2 3.97Å
703V32.4Very low36.1Very low131 Ų131135.7 Ų135.779%0.79479%0.792SS**  trans-115.1137.8166172.50000108.3
704Y40.3Very low35.7Very low209 Ų209134.1 Ų134.182%0.8280%0.799SS**  trans-114.4139.7155.3-85-84.5000108.6V702V702-Y704 HydrophobicContact CG1-CD2 4.02Å; V702-Y704 HydrophobicContact CG1-CE2 3.97Å
705P37.2Very low35.5Very low125 Ų125138.4 Ų138.481%0.81280%0.801SS**  trans-85.2133.7-173.232.9-33.8000112.2
706G34.6Very low35.6Very low67 Ų67133.7 Ų133.769%0.69179%0.792SS**  trans-173.2132.6171.900000110.1
707D34.4Very low35.6Very low154 Ų154131.9 Ų131.982%0.82479%0.788SS**  trans50.8111.3168.8-54.6-26000119.4
708P34.2Very low36Very low107 Ų107125.3 Ų125.370%0.69577%0.771SS**SBendtrans-69171157.231.5-32.3000111.1
709H35.3Very low36.4Very low178 Ų178126.3 Ų126.382%0.82476%0.761SS**  trans80.944.3177.7-47.3-81.3000118.4
710L33.7Very low36.5Very low158 Ų158125.9 Ų125.983%0.82776%0.758SS**  trans-149108.3152.7-145.474.3000114.7S712L710-S712 PolarHBondContact O-N 3.33Å; L710-S712 VanDerWaalsContact O-N 3.11Å
711P41.9Very low36.5Very low129 Ų129124.7 Ų124.784%0.83874%0.744SS**  trans-73.7100.3169.429.5-31.8000110S713P711-S713 PolarHBondContact O-N 3.45Å
712S34.1Very low36.7Very low101 Ų101124.9 Ų124.971%0.70675%0.746SS**  trans-68.6118.7-171.1-171.80000114L710 G714L710-S712 PolarHBondContact O-N 3.33Å; L710-S712 VanDerWaalsContact O-N 3.11Å; S712-G714 PolarHBondContact O-N 3.02Å
713S33.4Very low36.8Very low103 Ų103124 Ų12472%0.7274%0.738SS**  trans4565.1145-56.30000117.3P711 K715P711-S713 PolarHBondContact O-N 3.45Å; S713-K715 PolarHBondContact O-N 3.25Å
714G37.5Very low37.3Very low83 Ų83122 Ų12286%0.85672%0.722SS**  trans-62.779.1162.400000111.9S712 L716S712-G714 PolarHBondContact O-N 3.02Å; G714-L716 PolarHBondContact O-N 3.26Å; G714-L716 VanDerWaalsContact O-N 3.08Å
715K37.4Very low37.3Very low178 Ų178117.6 Ų117.677%0.77471%0.713SS**  trans-75.297.8-170.7-163.3175.8-172.2176.80110.5S713 N717S713-K715 PolarHBondContact O-N 3.25Å; K715-N717 PolarHBondContact O-N 3.39Å
716L38Very low37.7Very low126 Ų126117.9 Ų117.966%0.6671%0.706SS**  trans-60.1105-179.8-162.178.3000110.6G714 L718G714-L716 PolarHBondContact O-N 3.26Å; G714-L716 VanDerWaalsContact O-N 3.08Å; L716-L718 HydrophobicContact CD2-CD1 4.32Å; L716-L718 WeakPolarHBondContact O-CD1 3.21Å; L716-L718 PolarHBondContact O-N 2.88Å
717N40.1Very low38.5Very low141 Ų141118.9 Ų118.975%0.75471%0.708SS**  trans-77.394.1-178.5-78.4-39.4000110.1K715 V719K715-N717 PolarHBondContact O-N 3.39Å; N717-V719 PolarHBondContact O-N 3.07Å
718L38.5Very low39Very low114 Ų114118.4 Ų118.460%0.59771%0.705SS**  trans-57105.8173.1-91.664.6000111L716L716-L718 HydrophobicContact CD2-CD1 4.32Å; L716-L718 WeakPolarHBondContact O-CD1 3.21Å; L716-L718 PolarHBondContact O-N 2.88Å
719V40.3Very low39.9Very low100 Ų100116.7 Ų116.761%0.60669%0.692SS**  trans-66.9136160.5179.80000107.8N717 N721N717-V719 PolarHBondContact O-N 3.07Å; V719-N721 PolarHBondContact O-N 3Å
720S37.2Very low40.6Very low110 Ų110113.8 Ų113.877%0.76968%0.683SS**THydrogen-bonded Turntrans-68.812.9-162.7-168.80000117
721N35.1Very low41.7Very low106 Ų106112.4 Ų112.457%0.56768%0.676SS**THydrogen-bonded Turntrans-123.510.6-165.1-62.8-36.6000115.6V719 D723V719-N721 PolarHBondContact O-N 3Å; N721-D723 VanDerWaalsContact C-N 3.29Å; N721-D723 PolarHBondContact O-N 3.17Å; N721-D723 VanDerWaalsContact O-N 3.13Å
722G40.2Very low42.6Very low75 Ų75111.1 Ų111.177%0.77368%0.676SS**  trans79.4-11.3163.100000117.8L724G722-L724 PolarHBondContact O-N 2.96Å
723D37.2Very low43.8Very low110 Ų110112.3 Ų112.359%0.58867%0.674SS**  trans-61.5127.5166.3-85.7-46.7000110.6N721N721-D723 VanDerWaalsContact C-N 3.29Å; N721-D723 PolarHBondContact O-N 3.17Å; N721-D723 VanDerWaalsContact O-N 3.13Å
724L43.8Very low45.2Very low87 Ų87111.2 Ų111.246%0.45566%0.659SS.*  trans-122.7104.8172.1-172.772.7000107.3G722 I726 L746G722-L724 PolarHBondContact O-N 2.96Å; L724-I726 HydrophobicContact CB-CG1 4.45Å; L724-I726 HydrophobicContact CD2-CD1 4.22Å; L724-I726 HydrophobicContact CD2-CG1 3.86Å; L724-I726 HydrophobicContact CG-CG1 4Å; L724-I726 PolarHBondContact O-N 2.9Å; L724-L746 HydrophobicContact CD2-CD2 4.27Å
725D40.6Very low47.2Very low118 Ų118111.6 Ų111.663%0.63164%0.641SS**  trans-71.978.7176.3-101.2-48.6000110.4A727 D728D725-A727 PolarHBondContact O-N 3.42Å; D725-D728 PolarHBondContact O-N 3.11Å; D725-D728 VanDerWaalsContact O-N 3.11Å
726I45Very low49Very low131 Ų131106.2 Ų106.267%0.67263%0.625SS**G310 helixtrans-60.4-14177.9-69.2162000111.8L724L724-I726 HydrophobicContact CB-CG1 4.45Å; L724-I726 HydrophobicContact CD2-CD1 4.22Å; L724-I726 HydrophobicContact CD2-CG1 3.86Å; L724-I726 HydrophobicContact CG-CG1 4Å; L724-I726 PolarHBondContact O-N 2.9Å
727A50.5Low50.8Low88 Ų88104.1 Ų104.173%0.72761%0.611SS**G310 helixtrans-73.8-24175.300000114.4D725D725-A727 PolarHBondContact O-N 3.42Å
728D46.4Very low52.5Low144 Ų14499.4 Ų99.477%0.7759%0.588SS**G310 helixtrans-99.35.7-175.3-78.34.7000113D725D725-D728 PolarHBondContact O-N 3.11Å; D725-D728 VanDerWaalsContact O-N 3.11Å
729V52.8Low54.1Low70 Ų7096.8 Ų96.842%0.42457%0.574SS.*SBendtrans-101111.6172.7-177.20000109.5L731 M734V729-L731 VanDerWaalsContact C-N 3.33Å; V729-L731 PolarHBondContact O-N 2.93Å; V729-M734 HydrophobicContact CG1-CG 4.05Å; V729-M734 HydrophobicContact CG1-SD 4.35Å
730N48.6Very low56Low117 Ų11799.1 Ų99.163%0.62657%0.571SS**  trans-63.394.5165.8-89.8-7.1000109.5A732 D733N730-A732 PolarHBondContact O-N 2.82Å; N730-D733 HydrophobicContact CB-CB 4.14Å; N730-D733 VanDerWaalsContact CB-OD2 3.22Å; N730-D733 WeakPolarHBondContact CB-OD2 3.37Å; N730-D733 PolarHBondContact ND2-OD2 2.99Å; N730-D733 PolarHBondContact O-N 2.88Å
731L56.8Low58.1Low130 Ų13099.8 Ų99.868%0.68156%0.557SS**THydrogen-bonded Turntrans-62.4-16.3-178.1-16862.1000113.2V729 I739V729-L731 VanDerWaalsContact C-N 3.33Å; V729-L731 PolarHBondContact O-N 2.93Å; L731-I739 HydrophobicContact CD1-CD1 3.93Å
732A60.4Low60Low101 Ų10198.2 Ų98.284%0.83555%0.546SS*.THydrogen-bonded Turntrans-80.1-22.3174.200000114.4N730N730-A732 PolarHBondContact O-N 2.82Å
733D60.9Low61.7Low127 Ų12798.5 Ų98.568%0.67953%0.53SS*.SBendtrans-94.9-0.5-177.9-68.1-43.3000112.9N730N730-D733 HydrophobicContact CB-CB 4.14Å; N730-D733 VanDerWaalsContact CB-OD2 3.22Å; N730-D733 WeakPolarHBondContact CB-OD2 3.37Å; N730-D733 PolarHBondContact ND2-OD2 2.99Å; N730-D733 PolarHBondContact O-N 2.88Å
734M61.5Low63.7Low80 Ų80100.5 Ų100.539%0.39453%0.533SS..SBendtrans-100.8113.3-175.8-74.8-110.17000112.1V729 V738 I739V729-M734 HydrophobicContact CG1-CG 4.05Å; V729-M734 HydrophobicContact CG1-SD 4.35Å; M734-V738 HydrophobicContact CE-CB 4.23Å; M734-V738 HydrophobicContact CE-CG1 3.65Å; M734-I739 HydrophobicContact CB-CD1 3.82Å; M734-I739 HydrophobicContact CB-CG1 3.71Å; M734-I739 WeakPolarHBondContact O-CD1 3.46Å
735D79.6Confident65.5Low91 Ų91102.5 Ų102.549%0.48754%0.535SS..  trans-48125.4172.6-178.349.7000111.8E737 V738 I739D735-E737 PolarHBondContact O-N 3.24Å; D735-E737 VanDerWaalsContact O-N 3.12Å; D735-V738 HydrophobicContact CB-CB 4.31Å; D735-V738 HydrophobicContact CB-CG2 3.95Å; D735-V738 WeakPolarHBondContact O-CA 3.44Å; D735-V738 WeakPolarHBondContact O-CB 3.3Å; D735-V738 PolarHBondContact O-N 2.89Å; D735-I739 PolarHBondContact O-N 2.98Å
736P76.9Confident67Low65 Ų65100.1 Ų100.142%0.42252%0.521SS..Hα-helixtrans-61.8-27.3-169.518.6-29.8000113.7I739 R740P736-I739 PolarHBondContact O-N 2.96Å; P736-R740 WeakPolarHBondContact O-CB 3.41Å; P736-R740 VanDerWaalsContact O-CG 3.32Å; P736-R740 WeakPolarHBondContact O-CG 3.41Å; P736-R740 PolarHBondContact O-N 3.41Å
737E75.3Confident68.4Low82 Ų82101 Ų10138%0.38352%0.517SS..Hα-helixtrans-71.2-30.8173.3-84.936.6-98.800112.2D735 R740 R741D735-E737 PolarHBondContact O-N 3.24Å; D735-E737 VanDerWaalsContact O-N 3.12Å; E737-R740 WeakPolarHBondContact OE1-CD 3.43Å; E737-R740 IonicContact OE1-CZ 3.66Å; E737-R740 IonicContact OE1-NE 3.9Å; E737-R740 IonicContact OE1-NH1 2.69Å; E737-R740 PolarHBondContact OE1-NH1 3.35Å; E737-R740 IonicContact OE2-NH1 3.61Å; E737-R741 WeakPolarHBondContact O-CB 3.46Å; E737-R741 PolarHBondContact O-N 3.46Å; E737-R741 PolarHBondContact O-NH1 3.02Å
738V75.1Confident69.9Low42 Ų42100.1 Ų100.126%0.25550%0.503SS..Hα-helixtrans-71.4-43.8169.8-178.80000110.5M734 D735 R740 R741 E742M734-V738 HydrophobicContact CE-CB 4.23Å; M734-V738 HydrophobicContact CE-CG1 3.65Å; D735-V738 HydrophobicContact CB-CB 4.31Å; D735-V738 HydrophobicContact CB-CG2 3.95Å; D735-V738 WeakPolarHBondContact O-CA 3.44Å; D735-V738 WeakPolarHBondContact O-CB 3.3Å; D735-V738 PolarHBondContact O-N 2.89Å; V738-R740 PolarHBondContact O-N 3.21Å; V738-R741 PolarHBondContact O-N 2.88Å; V738-R741 VanDerWaalsContact O-N 3.16Å; V738-E742 HydrophobicContact CG1-CG 4.49Å; V738-E742 PolarHBondContact O-N 3.39Å
739I72.8Confident71.6Confident59 Ų5997.6 Ų97.630%0.30349%0.487SS..Hα-helixtrans-57.4-49.5174.2-59.2177.1000110.2L731 M734 D735 P736 R741 E742 L743L731-I739 HydrophobicContact CD1-CD1 3.93Å; M734-I739 HydrophobicContact CB-CD1 3.82Å; M734-I739 HydrophobicContact CB-CG1 3.71Å; M734-I739 WeakPolarHBondContact O-CD1 3.46Å; D735-I739 PolarHBondContact O-N 2.98Å; P736-I739 PolarHBondContact O-N 2.96Å; I739-R741 VanDerWaalsContact C-N 3.32Å; I739-R741 PolarHBondContact O-N 2.89Å; I739-E742 PolarHBondContact O-N 2.87Å; I739-L743 WeakPolarHBondContact O-CB 3.43Å; I739-L743 PolarHBondContact O-N 2.9Å
740R79.3Confident72.8Confident148 Ų14898.6 Ų98.656%0.55849%0.489SS*.Hα-helixtrans-60.5-39.2176.6-74.8171.4177.6126.43.7112.4P736 E737 V738 K744P736-R740 WeakPolarHBondContact O-CB 3.41Å; P736-R740 VanDerWaalsContact O-CG 3.32Å; P736-R740 WeakPolarHBondContact O-CG 3.41Å; P736-R740 PolarHBondContact O-N 3.41Å; E737-R740 WeakPolarHBondContact OE1-CD 3.43Å; E737-R740 IonicContact OE1-CZ 3.66Å; E737-R740 IonicContact OE1-NE 3.9Å; E737-R740 IonicContact OE1-NH1 2.69Å; E737-R740 PolarHBondContact OE1-NH1 3.35Å; E737-R740 IonicContact OE2-NH1 3.61Å; V738-R740 PolarHBondContact O-N 3.21Å; R740-K744 VanDerWaalsContact O-CB 3.26Å; R740-K744 WeakPolarHBondContact O-CB 3.28Å; R740-K744 PolarHBondContact O-N 3.27Å
741R81.9Confident74.3Confident124 Ų12499 Ų9947%0.46849%0.487SS..Hα-helixtrans-69-43.7-180-170.2-179.3-60.3108.4-0.3112.1E737 V738 I739 R745E737-R741 WeakPolarHBondContact O-CB 3.46Å; E737-R741 PolarHBondContact O-N 3.46Å; E737-R741 PolarHBondContact O-NH1 3.02Å; V738-R741 PolarHBondContact O-N 2.88Å; V738-R741 VanDerWaalsContact O-N 3.16Å; I739-R741 VanDerWaalsContact C-N 3.32Å; I739-R741 PolarHBondContact O-N 2.89Å; R741-R745 WeakPolarHBondContact O-CG 3.11Å; R741-R745 PolarHBondContact O-N 2.95Å
742E74.2Confident75.2Confident73 Ų7396.4 Ų96.434%0.34147%0.473SS..Hα-helixtrans-74-37175.3-68.9-47.913800112.6V738 I739 K744 R745 L746V738-E742 HydrophobicContact CG1-CG 4.49Å; V738-E742 PolarHBondContact O-N 3.39Å; I739-E742 PolarHBondContact O-N 2.87Å; E742-K744 VanDerWaalsContact C-N 3.29Å; E742-K744 PolarHBondContact O-N 2.95Å; E742-R745 VanDerWaalsContact CD-CD 3.49Å; E742-R745 CarbonylContact O-C 3.6Å; E742-R745 WeakPolarHBondContact O-CA 3.4Å; E742-R745 WeakPolarHBondContact O-CB 3.32Å; E742-R745 PolarHBondContact O-N 3.47Å; E742-R745 VanDerWaalsContact O-N 3.07Å; E742-R745 WeakPolarHBondContact OE1-CD 3.49Å; E742-R745 IonicContact OE1-CZ 3.51Å; E742-R745 IonicContact OE1-NE 3.76Å; E742-R745 IonicContact OE1-NH1 3.85Å; E742-R745 PolarHBondContact OE1-NH1 2.74Å; E742-R745 WeakPolarHBondContact OE2-CD 3.28Å; E742-R745 IonicContact OE2-NH1 2.74Å; E742-L746 PolarHBondContact O-N 3.25Å
743L75.6Confident75.9Confident81 Ų8199.7 Ų99.742%0.42447%0.465SS..Hα-helixtrans-61.1-38.9173.1-174.463000111.3I739 L746 Y747I739-L743 WeakPolarHBondContact O-CB 3.43Å; I739-L743 PolarHBondContact O-N 2.9Å; L743-L746 PolarHBondContact O-N 2.88Å; L743-Y747 HydrophobicContact CD1-CD2 4.09Å; L743-Y747 HydrophobicContact CD1-CE2 3.62Å; L743-Y747 HydrophobicContact CD2-CE2 4.04Å; L743-Y747 HydrophobicContact CG-CD2 3.87Å; L743-Y747 HydrophobicContact CG-CE2 3.56Å; L743-Y747 VanDerWaalsContact O-CD2 3.24Å; L743-Y747 WeakPolarHBondContact O-CD2 3.5Å; L743-Y747 PolarHBondContact O-N 2.94Å
744K81.1Confident76.6Confident153 Ų153100.8 Ų100.867%0.66546%0.464SS*.Hα-helixtrans-67.4-34.7172.6-169.8171.4-175.6173.40112.6R740 E742 T748R740-K744 VanDerWaalsContact O-CB 3.26Å; R740-K744 WeakPolarHBondContact O-CB 3.28Å; R740-K744 PolarHBondContact O-N 3.27Å; E742-K744 VanDerWaalsContact C-N 3.29Å; E742-K744 PolarHBondContact O-N 2.95Å; K744-T748 WeakPolarHBondContact O-CB 3.48Å; K744-T748 WeakPolarHBondContact O-CG2 3.45Å; K744-T748 PolarHBondContact O-N 3.49Å; K744-T748 VanDerWaalsContact O-N 3.13Å; K744-T748 PolarHBondContact O-OG1 3.38Å
745R80.3Confident77.2Confident129 Ų12998.7 Ų98.749%0.48746%0.456SS..Hα-helixtrans-66.2-42.6169.9-73.9166.3168.4-172.2-3.6111.3R741 E742 T748 Q749R741-R745 WeakPolarHBondContact O-CG 3.11Å; R741-R745 PolarHBondContact O-N 2.95Å; E742-R745 VanDerWaalsContact CD-CD 3.49Å; E742-R745 CarbonylContact O-C 3.6Å; E742-R745 WeakPolarHBondContact O-CA 3.4Å; E742-R745 WeakPolarHBondContact O-CB 3.32Å; E742-R745 PolarHBondContact O-N 3.47Å; E742-R745 VanDerWaalsContact O-N 3.07Å; E742-R745 WeakPolarHBondContact OE1-CD 3.49Å; E742-R745 IonicContact OE1-CZ 3.51Å; E742-R745 IonicContact OE1-NE 3.76Å; E742-R745 IonicContact OE1-NH1 3.85Å; E742-R745 PolarHBondContact OE1-NH1 2.74Å; E742-R745 WeakPolarHBondContact OE2-CD 3.28Å; E742-R745 IonicContact OE2-NH1 2.74Å; R745-T748 PolarHBondContact O-N 2.94Å; R745-T748 PolarHBondContact O-OG1 3.43Å; R745-T748 VanDerWaalsContact O-OG1 3.1Å; R745-Q749 WeakPolarHBondContact O-CB 3.36Å; R745-Q749 VanDerWaalsContact O-CG 3.25Å; R745-Q749 WeakPolarHBondContact O-CG 3.44Å; R745-Q749 PolarHBondContact O-N 2.82Å
746L72.9Confident76.9Confident67 Ų67101.4 Ų101.435%0.35146%0.463SS..Hα-helixtrans-62-52176.5-124.884.7000111.2L724 E742 L743 T748 Q749 I750L724-L746 HydrophobicContact CD2-CD2 4.27Å; E742-L746 PolarHBondContact O-N 3.25Å; L743-L746 PolarHBondContact O-N 2.88Å; L746-T748 VanDerWaalsContact C-N 3.35Å; L746-T748 PolarHBondContact O-N 3.3Å; L746-Q749 PolarHBondContact O-N 2.98Å; L746-I750 HydrophobicContact CD2-CD1 4.46Å; L746-I750 WeakPolarHBondContact O-CB 3.5Å; L746-I750 VanDerWaalsContact O-CG1 3.24Å; L746-I750 WeakPolarHBondContact O-CG1 3.43Å; L746-I750 PolarHBondContact O-N 2.93Å
747Y74.9Confident76.6Confident150 Ų150100.5 Ų100.559%0.58846%0.461SS*.Hα-helixtrans-59.9-43179.2-79.6-56.2000112.4L743 I750 E751L743-Y747 HydrophobicContact CD1-CD2 4.09Å; L743-Y747 HydrophobicContact CD1-CE2 3.62Å; L743-Y747 HydrophobicContact CD2-CE2 4.04Å; L743-Y747 HydrophobicContact CG-CD2 3.87Å; L743-Y747 HydrophobicContact CG-CE2 3.56Å; L743-Y747 VanDerWaalsContact O-CD2 3.24Å; L743-Y747 WeakPolarHBondContact O-CD2 3.5Å; L743-Y747 PolarHBondContact O-N 2.94Å; Y747-I750 PolarHBondContact O-N 2.91Å; Y747-E751 WeakPolarHBondContact O-CB 3.49Å; Y747-E751 PolarHBondContact O-N 3.28Å
748T81.4Confident76.2Confident69 Ų69101.8 Ų101.842%0.42347%0.468SS..Hα-helixtrans-68.6-35.2176.650.60000112.5K744 R745 L746 L752K744-T748 WeakPolarHBondContact O-CB 3.48Å; K744-T748 WeakPolarHBondContact O-CG2 3.45Å; K744-T748 PolarHBondContact O-N 3.49Å; K744-T748 VanDerWaalsContact O-N 3.13Å; K744-T748 PolarHBondContact O-OG1 3.38Å; R745-T748 PolarHBondContact O-N 2.94Å; R745-T748 PolarHBondContact O-OG1 3.43Å; R745-T748 VanDerWaalsContact O-OG1 3.1Å; L746-T748 VanDerWaalsContact C-N 3.35Å; L746-T748 PolarHBondContact O-N 3.3Å; T748-L752 WeakPolarHBondContact O-CB 3.01Å; T748-L752 WeakPolarHBondContact O-CG 3.4Å; T748-L752 PolarHBondContact O-N 3.45Å
749Q82.2Confident75.9Confident91 Ų91104.6 Ų104.643%0.42547%0.474SS..Hα-helixtrans-64.9-44.4170.8-75.117926.700112R745 L746 E751 L752 Y753R745-Q749 WeakPolarHBondContact O-CB 3.36Å; R745-Q749 VanDerWaalsContact O-CG 3.25Å; R745-Q749 WeakPolarHBondContact O-CG 3.44Å; R745-Q749 PolarHBondContact O-N 2.82Å; L746-Q749 PolarHBondContact O-N 2.98Å; Q749-E751 PolarHBondContact O-N 2.96Å; Q749-L752 PolarHBondContact O-N 3.35Å; Q749-Y753 WeakPolarHBondContact O-CB 3.27Å; Q749-Y753 PolarHBondContact O-N 3.43Å
750I78Confident75.7Confident91 Ų91109.9 Ų109.947%0.46750%0.495SS..Hα-helixtrans-60.6-43.4176.5-71.2163.7000110.6L746 Y747 Y753 K754L746-I750 HydrophobicContact CD2-CD1 4.46Å; L746-I750 WeakPolarHBondContact O-CB 3.5Å; L746-I750 VanDerWaalsContact O-CG1 3.24Å; L746-I750 WeakPolarHBondContact O-CG1 3.43Å; L746-I750 PolarHBondContact O-N 2.93Å; Y747-I750 PolarHBondContact O-N 2.91Å; I750-Y753 PolarHBondContact O-N 3.42Å; I750-K754 WeakPolarHBondContact O-CB 3.45Å; I750-K754 PolarHBondContact O-N 3.42Å
751E79.4Confident74.9Confident126 Ų126108 Ų10859%0.58950%0.496SS*.Hα-helixtrans-67.4-39.4176.6-172.1175.4-161.800112.4Y747 Q749 Y753 T755Y747-E751 WeakPolarHBondContact O-CB 3.49Å; Y747-E751 PolarHBondContact O-N 3.28Å; Q749-E751 PolarHBondContact O-N 2.96Å; E751-Y753 VanDerWaalsContact C-N 3.32Å; E751-Y753 PolarHBondContact O-N 2.83Å; E751-T755 WeakPolarHBondContact O-CB 3.32Å; E751-T755 VanDerWaalsContact O-CG2 3.3Å; E751-T755 WeakPolarHBondContact O-CG2 3.43Å; E751-T755 PolarHBondContact O-N 2.75Å; E751-T755 PolarHBondContact O-OG1 2.82Å
752L76Confident74.1Confident75 Ų75104.7 Ų104.739%0.39349%0.488SS..Hα-helixtrans-64.8-36.1172.1-70.4170.9000111.9T748 Q749 T755 K756 R769T748-L752 WeakPolarHBondContact O-CB 3.01Å; T748-L752 WeakPolarHBondContact O-CG 3.4Å; T748-L752 PolarHBondContact O-N 3.45Å; Q749-L752 PolarHBondContact O-N 3.35Å; L752-T755 PolarHBondContact O-OG1 2.92Å; L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.12Å; L752-K756 WeakPolarHBondContact O-CG 3.39Å; L752-K756 PolarHBondContact O-N 2.96Å; L752-R769 VanDerWaalsContact CD2-NH2 3.33Å
753Y75.8Confident73.8Confident171 Ų171107.2 Ų107.267%0.67151%0.51SS*.Hα-helixtrans-72.9-47.6177.6-149.6-76.4000111.3Q749 I750 E751 T755 K756 A757Q749-Y753 WeakPolarHBondContact O-CB 3.27Å; Q749-Y753 PolarHBondContact O-N 3.43Å; I750-Y753 PolarHBondContact O-N 3.42Å; E751-Y753 VanDerWaalsContact C-N 3.32Å; E751-Y753 PolarHBondContact O-N 2.83Å; Y753-T755 VanDerWaalsContact C-N 3.34Å; Y753-T755 PolarHBondContact O-N 3.35Å; Y753-K756 WeakPolarHBondContact O-CB 3.36Å; Y753-K756 PolarHBondContact O-N 3.44Å; Y753-K756 VanDerWaalsContact O-N 3.09Å; Y753-A757 PolarHBondContact O-N 3.48Å
754K75.6Confident73.5Confident150 Ų150110.3 Ų110.365%0.65252%0.522SS*.Hα-helixtrans-54.2-48.5173.6-178.8177.1179.8179.60111.1I750 A757 M758I750-K754 WeakPolarHBondContact O-CB 3.45Å; I750-K754 PolarHBondContact O-N 3.42Å; K754-A757 PolarHBondContact O-N 2.83Å; K754-M758 VanDerWaalsContact O-CB 3.3Å; K754-M758 WeakPolarHBondContact O-CB 3.44Å; K754-M758 PolarHBondContact O-N 3.45Å
755T72.9Confident72.8Confident35 Ų35105.6 Ų105.622%0.21550%0.504CS..Hα-helixtrans-76.1-21.4178.366.20000113.5E751 L752 Y753 R759E751-T755 WeakPolarHBondContact O-CB 3.32Å; E751-T755 VanDerWaalsContact O-CG2 3.3Å; E751-T755 WeakPolarHBondContact O-CG2 3.43Å; E751-T755 PolarHBondContact O-N 2.75Å; E751-T755 PolarHBondContact O-OG1 2.82Å; L752-T755 PolarHBondContact O-OG1 2.92Å; Y753-T755 VanDerWaalsContact C-N 3.34Å; Y753-T755 PolarHBondContact O-N 3.35Å; T755-R759 WeakPolarHBondContact O-CB 3.26Å; T755-R759 WeakPolarHBondContact O-CG 3.44Å; T755-R759 PolarHBondContact O-N 3.07Å; T755-R759 PolarHBondContact O-NH1 2.97Å; T755-R759 PolarHBondContact OG1-NH1 3Å
756K74.5Confident71.9Confident149 Ų149103.6 Ų103.665%0.64851%0.509SS*.Hα-helixtrans-69.5-48.9168.1-85.5172.3176.4-177.40111.2L752 Y753 R759 K760L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.12Å; L752-K756 WeakPolarHBondContact O-CG 3.39Å; L752-K756 PolarHBondContact O-N 2.96Å; Y753-K756 WeakPolarHBondContact O-CB 3.36Å; Y753-K756 PolarHBondContact O-N 3.44Å; Y753-K756 VanDerWaalsContact O-N 3.09Å; K756-R759 PolarHBondContact O-N 3.05Å; K756-K760 PolarHBondContact O-N 2.95Å; K756-K760 VanDerWaalsContact O-N 3.16Å
757A70.7Confident71.3Confident45 Ų45109.8 Ų109.837%0.37253%0.534SS..Hα-helixtrans-58.2-51.2175.500000110.8Y753 K754 R759 K760Y753-A757 PolarHBondContact O-N 3.48Å; K754-A757 PolarHBondContact O-N 2.83Å; A757-R759 PolarHBondContact O-N 3.24Å; A757-R759 VanDerWaalsContact O-N 3.14Å; A757-K760 VanDerWaalsContact O-CB 3.29Å; A757-K760 WeakPolarHBondContact O-CB 3.4Å; A757-K760 PolarHBondContact O-N 2.88Å
758M66.4Low70.1Confident110 Ų110113.9 Ų113.954%0.54255%0.548SS..Hα-helixtrans-55.7-35.9178.4-162.4-179.2-161.800113.2K754 N762 I765K754-M758 VanDerWaalsContact O-CB 3.3Å; K754-M758 WeakPolarHBondContact O-CB 3.44Å; K754-M758 PolarHBondContact O-N 3.45Å; M758-N762 VanDerWaalsContact O-CB 3.31Å; M758-N762 WeakPolarHBondContact O-CB 3.43Å; M758-N762 PolarHBondContact O-N 2.67Å; M758-N762 PolarHBondContact O-ND2 2.75Å; M758-I765 HydrophobicContact CE-CD1 4.44Å; M758-I765 HydrophobicContact CG-CD1 3.81Å; M758-I765 HydrophobicContact SD-CD1 4.25Å
759R67.7Low68.4Low101 Ų101120.2 Ų120.238%0.38156%0.564SS.*Hα-helixtrans-78.5-16.1176-73.8178-160101.70.7114.7T755 K756 A757 I765T755-R759 WeakPolarHBondContact O-CB 3.26Å; T755-R759 WeakPolarHBondContact O-CG 3.44Å; T755-R759 PolarHBondContact O-N 3.07Å; T755-R759 PolarHBondContact O-NH1 2.97Å; T755-R759 PolarHBondContact OG1-NH1 3Å; K756-R759 PolarHBondContact O-N 3.05Å; A757-R759 PolarHBondContact O-N 3.24Å; A757-R759 VanDerWaalsContact O-N 3.14Å; R759-I765 HydrophobicContact CG-CB 4.21Å; R759-I765 HydrophobicContact CG-CG2 3.72Å
760K68.3Low66.3Low169 Ų169119.9 Ų119.974%0.73559%0.586SS**Hα-helixtrans-70.7-45.2179.1-173-169.5173.5-1660110.5K756 A757K756-K760 PolarHBondContact O-N 2.95Å; K756-K760 VanDerWaalsContact O-N 3.16Å; A757-K760 VanDerWaalsContact O-CB 3.29Å; A757-K760 WeakPolarHBondContact O-CB 3.4Å; A757-K760 PolarHBondContact O-N 2.88Å
761D62.5Low64.2Low108 Ų108119 Ų11958%0.57860%0.599SS**Hα-helixtrans-101.9-3.8-170.8-48.4-57.8000112.9
762N66.4Low62.1Low56 Ų56125.1 Ų125.130%0.29962%0.616SS.*  trans-120.685.9175.3-64-84.3000111.2M758 H764 I765M758-N762 VanDerWaalsContact O-CB 3.31Å; M758-N762 WeakPolarHBondContact O-CB 3.43Å; M758-N762 PolarHBondContact O-N 2.67Å; M758-N762 PolarHBondContact O-ND2 2.75Å; N762-H764 PolarHBondContact O-N 2.78Å; N762-H764 VanDerWaalsContact O-N 3.11Å; N762-H764 PolarHBondContact OD1-CE1 2.93Å; N762-H764 VanDerWaalsContact OD1-CE1 3.29Å; N762-I765 HydrophobicContact CB-CD1 3.62Å; N762-I765 HydrophobicContact CB-CG1 3.74Å; N762-I765 PolarHBondContact O-N 3.5Å
763P67Low60.4Low125 Ų125131 Ų13181%0.81264%0.639SS**THydrogen-bonded Turntrans-64.2-17.5-176.624.7-34.2000114.1I765P763-I765 VanDerWaalsContact C-N 3.29Å; P763-I765 PolarHBondContact O-N 3.11Å
764H70Confident58.4Low147 Ų147132.2 Ų132.268%0.68165%0.651SS**THydrogen-bonded Turntrans-72.4-16.7173.162.4-103.2000113.5N762 S766N762-H764 PolarHBondContact O-N 2.78Å; N762-H764 VanDerWaalsContact O-N 3.11Å; N762-H764 PolarHBondContact OD1-CE1 2.93Å; N762-H764 VanDerWaalsContact OD1-CE1 3.29Å; H764-S766 PolarHBondContact O-N 3.11Å
765I65.3Low56.6Low54 Ų54136.2 Ų136.228%0.27766%0.662SS.*SBendtrans-80.290.7177.4-57-178.2000109.2M758 R759 N762 P763M758-I765 HydrophobicContact CE-CD1 4.44Å; M758-I765 HydrophobicContact CG-CD1 3.81Å; M758-I765 HydrophobicContact SD-CD1 4.25Å; R759-I765 HydrophobicContact CG-CB 4.21Å; R759-I765 HydrophobicContact CG-CG2 3.72Å; N762-I765 HydrophobicContact CB-CD1 3.62Å; N762-I765 HydrophobicContact CB-CG1 3.74Å; N762-I765 PolarHBondContact O-N 3.5Å; P763-I765 VanDerWaalsContact C-N 3.29Å; P763-I765 PolarHBondContact O-N 3.11Å
766S62.9Low54.8Low86 Ų86145.7 Ų145.760%0.60169%0.694SS**  trans-55.3146.5-17683.40000113.4H764 R768H764-S766 PolarHBondContact O-N 3.11Å; S766-R768 PolarHBondContact O-N 3.44Å; S766-R768 VanDerWaalsContact O-N 3.12Å
767K59Low53.2Low198 Ų198148.2 Ų148.286%0.86171%0.705SS**  trans-72.91.2-176.1-64.4177.4-179.1172.90114.6R769K767-R769 PolarHBondContact O-N 2.87Å
768R49.7Very low51.8Low235 Ų235149.8 Ų149.889%0.88771%0.713SS**  trans-76.890.9-173.3-82.3-171.4166.6-173.1-4112.9S766S766-R768 PolarHBondContact O-N 3.44Å; S766-R768 VanDerWaalsContact O-N 3.12Å
769R47.2Very low50.9Low202 Ų202152.7 Ų152.776%0.76273%0.73SS**  trans-62134.2160.1-122.1176173.6-178.8-5.7109.8L752 K767L752-R769 VanDerWaalsContact CD2-NH2 3.33Å; K767-R769 PolarHBondContact O-N 2.87Å
770G37.3Very low49.7Very low85 Ų85155.7 Ų155.788%0.87675%0.748SS**  trans64.675.3160.300000117.2
771G34.2Very low48.5Very low72 Ų72153.1 Ų153.174%0.74275%0.749SS**  trans-115.7113.8167.200000111.7K773G771-K773 PolarHBondContact O-N 3.35Å
772R36Very low47.1Very low254 Ų254158.4 Ų158.496%0.95877%0.767SS**  trans-73.777.9-176.3-173.9-175.4-177.1178.51.3112.2
773K38.8Very low46.3Very low200 Ų200163.4 Ų163.487%0.8779%0.788SS**  trans-166.4130.9162.8-107.2154.1-174.9178.90110.6G771G771-K773 PolarHBondContact O-N 3.35Å
774Q33.8Very low45.2Very low196 Ų196166.3 Ų166.392%0.91679%0.788SS**  trans-64.1135.3171.6-72.2172-42.700110.2
775R38Very low43.4Very low234 Ų234170.7 Ų170.788%0.88380%0.799SS**  trans-128.9110.1150.8-80.9-168.7168.9171.5-3.4108.9F777R775-F777 PolarHBondContact O-N 2.95Å; R775-F777 VanDerWaalsContact O-N 3.08Å
776R35.9Very low42.3Very low234 Ų234175.9 Ų175.988%0.88382%0.821SS**  trans-68.993.6-177.3-179.3-172.4-172.3-171.14.2109.5S778R776-S778 VanDerWaalsContact C-N 3.34Å; R776-S778 PolarHBondContact O-N 3.44Å
777F39.2Very low41.2Very low202 Ų202180.4 Ų180.489%0.88683%0.833SS**  trans-70.195.8162-84.6-82.5000108.2R775 L779R775-F777 PolarHBondContact O-N 2.95Å; R775-F777 VanDerWaalsContact O-N 3.08Å; F777-L779 PolarHBondContact O-N 3.17Å; F777-L779 VanDerWaalsContact O-N 3.16Å
778S43Very low40Very low78 Ų78174.2 Ų174.255%0.54583%0.825SS.*  trans-71.7104.2170.451.10000109.3R776 Q780R776-S778 VanDerWaalsContact C-N 3.34Å; R776-S778 PolarHBondContact O-N 3.44Å; S778-Q780 PolarHBondContact O-N 2.75Å
779L47Very low39.5Very low170 Ų170171.6 Ų171.689%0.8982%0.823SS**  trans-62.491.5151-74.6164.5000106.9F777 P781F777-L779 PolarHBondContact O-N 3.17Å; F777-L779 VanDerWaalsContact O-N 3.16Å; L779-P781 WeakPolarHBondContact O-CD 3.43Å
780Q42.6Very low39Very low164 Ų164168 Ų16877%0.76682%0.824SS**  trans-78.3117.7165.8-76.6-175.8-45.400107.7S778S778-Q780 PolarHBondContact O-N 2.75Å
781P43Very low39Very low116 Ų116168.9 Ų168.975%0.75382%0.816SS**  trans-65.6138.1171.7-17.332.2000109.7L779 H783L779-P781 WeakPolarHBondContact O-CD 3.43Å; P781-H783 VanDerWaalsContact C-N 3.34Å; P781-H783 PolarHBondContact O-N 2.73Å
782F33.9Very low39.2Very low219 Ų219170.8 Ų170.896%0.96182%0.819SS**  trans-71.187.7171.6-105.8-98.8000109.7
783H49.3Very low39.2Very low160 Ų160164.2 Ų164.274%0.74181%0.811SS**  trans-135.7115.2171.5-116.7-108.2000112.6P781P781-H783 VanDerWaalsContact C-N 3.34Å; P781-H783 PolarHBondContact O-N 2.73Å
784K43.4Very low39.1Very low187 Ų187162.6 Ų162.681%0.81381%0.812SS**  trans22.5113.6156.9-58.7-179.7-179179.50117.8
785R33Very low39.2Very low238 Ų238158.8 Ų158.890%0.89881%0.807SS**  trans-57.4141.3160.6-59.6171.1175.9167.8-3.3110.3
786H40.4Very low39.1Very low163 Ų163151 Ų15176%0.75580%0.799SS**  trans178.4123.4135.8-106.6-77.2000111.8
787H39.8Very low39Very low181 Ų181147.5 Ų147.584%0.83880%0.798SS**  trans56.8154.9173.8-51-73.1000115.3
788G34.4Very low39Very low69 Ų69144.9 Ų144.971%0.71180%0.798SS**  cis145.6144.715.300000105.2
789Q39.2Very low38.7Very low180 Ų180148.5 Ų148.584%0.84181%0.81SS**  cis-149.4169.911.7-59.6168-56.700110.3
790T36.8Very low38.4Very low125 Ų125145.1 Ų145.177%0.76780%0.798SS**  trans34.1150.6140.354.30000122.7
791S37.7Very low37.9Very low104 Ų104143.5 Ų143.573%0.72780%0.799SS**  cis179.3166.71.5410000110.1
792S37.3Very low37.6Very low113 Ų113145.4 Ų145.479%0.7980%0.803SS**  cis-176.892.8-38.754.90000111.8
793S37.6Very low37.6Very low115 Ų115141.3 Ų141.380%0.80480%0.796SS**  trans-148.3124.7172.354.80000109.3
794L35.4Very low36.9Very low167 Ų167137.4 Ų137.487%0.87480%0.799SS**  cis69.9127.728.3-138.476.4000111.8
795S36Very low36.2Very low116 Ų116134.5 Ų134.581%0.81180%0.801SS**  cis-149.8171.210.1-155.30000112.1
796G35.7Very low36.3Very low70 Ų70128.8 Ų128.872%0.72280%0.796SS**  trans156.5116.6166.400000115.9
797N35.2Very low35.9Very low160 Ų160127.3 Ų127.386%0.85680%0.803SS**  trans-102159.4177.9-63.1-34.1000112.2
798V37.6Very low35.8Very low147 Ų147124.3 Ų124.389%0.89180%0.797SS**  trans-172.7166.7139140.50000109
799I38.6Very low35.7Very low155 Ų155129.1 Ų129.180%0.79580%0.801SS**  trans-111.8-154.2-150.1-26.8-178.9000113.1
800P38.9Very low35.4Very low99 Ų99125.9 Ų125.964%0.64380%0.798SS**  -122-176.7-125.643.2-25.3000117.2
801T33.4Very low35.3Very low130 Ų130128.8 Ų128.880%0.79880%0.802SS**  trans42.8121.8153.9510000120.4
802D35.9Very low35.3Very low156 Ų156129 Ų12983%0.83480%0.804SS**  -155.8175.2120.8-137.4-35000113.2
803T35Very low35.2Very low133 Ų133127.9 Ų127.982%0.81680%0.796SS**  trans-95156.7-178.656.60000112.9
804G33.8Very low35.2Very low78 Ų78131.5 Ų131.580%0.80480%0.797SS**  trans-166.5118.5177.800000114.4
805C29.2Very low35Very low126 Ų126132.9 Ų132.985%0.85180%0.797SS**  trans-84.5162.2164.7-72.10000110.9
806C34Very low35.2Very low118 Ų118132.7 Ų132.780%0.79779%0.791SS**  177152.2119.3-97.90000113
807C32Very low35.3Very low132 Ų132134.7 Ų134.789%0.89279%0.789SS**  trans-134.987.8173-76.70000110.5
808T37.6Very low35.2Very low117 Ų117138.1 Ų138.172%0.71879%0.79SS**  trans-151.4157.5166.542.10000106.5
809E32.7Very low35.2Very low170 Ų170138.8 Ų138.879%0.79479%0.787SS**  cis-155-166.49.4-138.2165.1169.300111.5
810C34Very low34.7Very low113 Ų113136.9 Ų136.976%0.76479%0.786SS**  trans64.2108.5168.2-59.60000117.1
811Q34.7Very low34.9Very low185 Ų185138.2 Ų138.286%0.86480%0.795SS**  cis107.8134.522.5-170.1-172.955.700112.8
812S37.4Very low35.2Very low109 Ų109140.5 Ų140.576%0.76280%0.796SS**  trans74.7139.3169.4-157.70000118
813S35.8Very low35.3Very low90 Ų90143.2 Ų143.263%0.62980%0.796SS**  cis-165171.6-2551.40000111.5
814K36.7Very low35.1Very low191 Ų191142.3 Ų142.383%0.8379%0.794SS**  trans75.6106.3173.9-56.9179-178.1178.20115.5
815F32Very low35.3Very low195 Ų195142.7 Ų142.786%0.85579%0.785SS**  71.6125.493.4-107.4-131.5000113.1
816T40.1Very low35.7Very low112 Ų112147.3 Ų147.369%0.68778%0.784SS**  cis-142.31321734.90000111.6
817V36.1Very low35.6Very low112 Ų112150.8 Ų150.868%0.67979%0.788SS**  77.512989172.50000116.7
818R34.2Very low35.9Very low233 Ų233152.2 Ų152.288%0.87979%0.785SS**  trans73.7141.3174.4-68.6159.9-171.3174.42.7117.8
819L36.9Very low35.7Very low161 Ų161151.8 Ų151.884%0.84379%0.787SS**  cis-161.6138.7-26.6-160.772000108.6
820C29.6Very low35.9Very low114 Ų114149.7 Ų149.777%0.7779%0.791SS**  trans-108.6126.2173-79.60000111.4H822C820-H822 PolarHBondContact O-N 3.43Å
821P41.8Very low36Very low128 Ų128149.1 Ų149.183%0.83179%0.788SS**  trans-87.693.2172.433.5-31.1000110.9
822H41Very low36.1Very low177 Ų177145.7 Ų145.782%0.81978%0.78SS**  trans-100.8113.1162.1-103.9-84.7000109.1C820C820-H822 PolarHBondContact O-N 3.43Å
823Y37.9Very low36.1Very low214 Ų214144.3 Ų144.384%0.83977%0.771SS**  trans-90.6121.9176.5-150.5-89.7000109.7
824C29Very low36.2Very low113 Ų113147.4 Ų147.476%0.76478%0.775SS**  trans-117.7127.6173.3-84.50000110
825S39.1Very low36.1Very low87 Ų87146.9 Ų146.961%0.60877%0.773SS**  trans-166.8144.3163.7-82.70000110
826R36.6Very low36.1Very low223 Ų223144.8 Ų144.884%0.84277%0.769SS**  cis-161.5144.3-16.6-118.9175.1-167.21793.8106.8
827H32Very low35.8Very low191 Ų191143.6 Ų143.688%0.88477%0.766SS**  trans-79.9134162.2-89.4-100.1000109.5
828I38.5Very low35.8Very low162 Ų162143.5 Ų143.583%0.83177%0.765SS**  trans-137.5148.1147.1-63.9-171.5000107
829S34.3Very low35.9Very low108 Ų108138.6 Ų138.676%0.75576%0.757SS**  trans-112.1151-165.752.40000114.1
830S37.3Very low35.6Very low125 Ų125138.1 Ų138.187%0.87476%0.755SS**  trans-159.5156.7144.637.10000111.6
831S36Very low35.8Very low101 Ų101136.5 Ų136.571%0.70676%0.758SS**  trans-85.5-180177.459.90000110.7
832T36.7Very low35.4Very low113 Ų113136.8 Ų136.869%0.69376%0.763SS**  cis-162.4149.929.9-26.20000112.1
833S36.2Very low35Very low81 Ų81132 Ų13257%0.56676%0.762SS**  trans11.7138.2150.8630000120.7
834H38.3Very low34.7Very low154 Ų154129.9 Ų129.971%0.71377%0.765SS**  -169.9157.757.6-99.7-60.8000113.9
835K33.7Very low34.8Very low181 Ų181127.5 Ų127.579%0.78776%0.759SS**  trans37.2146.7140.8-65.5175.7174.6-178.80120.4
836L33.7Very low34.6Very low150 Ų150128.9 Ų128.979%0.78577%0.769SS**  cis-150.5-169.920.6-156.361000111.9
837S33.7Very low34.3Very low88 Ų88126 Ų12662%0.61577%0.77SS**  trans-75.6-173.4179.759.30000113.5
838T36Very low34.3Very low109 Ų109128.9 Ų128.967%0.66977%0.773SS**  cis-167.3154.330.6-15.80000114.1
839N34.7Very low34Very low131 Ų131124.4 Ų124.470%0.70177%0.767SS**  trans49.3129.9146.6-65.716000124.8
840D32.1Very low33.8Very low151 Ų151127.1 Ų127.181%0.80777%0.773SS**  42.8131.3123.4-48.7-42.1000122.7
841G34.2Very low33.5Very low80 Ų80132.2 Ų132.283%0.82578%0.775SS**  trans-171.688.4168.100000113.1G843G841-G843 PolarHBondContact O-N 3.28Å
842S32.3Very low33.4Very low133 Ų133131.9 Ų131.993%0.9377%0.773SS**  trans-72.5121.4172.2177.80000110.6
843G33.7Very low33.2Very low78 Ų78133.4 Ų133.480%0.80478%0.782SS**  trans-151.8113.517800000111.2G841G841-G843 PolarHBondContact O-N 3.28Å
844N30.8Very low33.1Very low169 Ų169136.1 Ų136.190%0.90479%0.788SS**  trans-104.2143.8-170.4-160.54.3000112
845G31.1Very low32.8Very low62 Ų62135.9 Ų135.964%0.63979%0.792SS**  trans94.7111.7162.200000118
846S34.2Very low32.8Very low117 Ų117135.6 Ų135.682%0.81879%0.793SS**  -177.7126.710639.50000114
847N30.2Very low32.9Very low161 Ų161135 Ų13586%0.86179%0.791SS**  trans20.2109.3152.7-58.3-12.5000120.4
848R32.8Very low33.2Very low253 Ų253139.2 Ų139.296%0.95580%0.8SS**  trans-126.4131.5131.2-88.5-173.9168.6165.3-1.5109.4
849G32.5Very low33.2Very low68 Ų68142.1 Ų142.170%0.70181%0.806SS**  trans-82.6143.7-161.300000115.2Y851G849-Y851 PolarHBondContact O-N 2.89Å
850N29.8Very low33.3Very low165 Ų165142.3 Ų142.388%0.88281%0.806SS**  trans-76.9110.4164.9-72.2-30.9000109.6S852N850-S852 PolarHBondContact O-N 3.37Å
851Y31.1Very low33.6Very low232 Ų232139 Ų13991%0.9180%0.795SS**  trans-86.8100.4161.8-89.4-85.6000109.3G849G849-Y851 PolarHBondContact O-N 2.89Å
852S32.7Very low33.9Very low94 Ų94144 Ų14466%0.65779%0.793SS**  trans-86.3114.4169.9520000110.2N850 I854N850-S852 PolarHBondContact O-N 3.37Å; S852-I854 PolarHBondContact O-N 3.47Å
853T33.5Very low34Very low145 Ų145145.5 Ų145.589%0.8979%0.79SS**  trans-74.7106.5172.147.60000110.3
854I33.2Very low34.2Very low137 Ų137146.1 Ų146.170%0.70378%0.783SS**  trans-94161.8168.4-55.2176.2000108S852S852-I854 PolarHBondContact O-N 3.47Å
855L32.2Very low34.6Very low149 Ų149146.6 Ų146.678%0.7878%0.779SS**  trans75.791.2-174.5-65.696.2000116.6
856H34.5Very low34.8Very low176 Ų176153 Ų15382%0.81579%0.792SS**SBend177.470.1113.2-98.3-71.1000110.9
857D36.6Very low34.8Very low138 Ų138152.5 Ų152.574%0.73879%0.789SS**  trans-1346.5-177.9-102.9-42000114.3
858E39.6Very low34.9Very low175 Ų175150.4 Ų150.482%0.81878%0.783SS**SBendtrans-96.1-16.2-166.8-161.4162.7-170.100115.5
859E36.5Very low35.1Very low170 Ų170146 Ų14679%0.79478%0.778SS**SBendtrans-90.6-18.7179-70.4-167.8116.500114.4S861E859-S861 VanDerWaalsContact C-N 3.28Å; E859-S861 PolarHBondContact O-N 3.04Å
860I34.9Very low35.2Very low136 Ų136149 Ų14970%0.69779%0.788SS**G310 helixtrans-78.9-14-173.1-61.9178.7000112K862I860-K862 PolarHBondContact O-N 3.41Å
861S40Very low35.4Very low81 Ų81144.1 Ų144.157%0.56678%0.776SS**G310 helixtrans-78.4-11.7-176.9-51.70000115.6E859E859-S861 VanDerWaalsContact C-N 3.28Å; E859-S861 PolarHBondContact O-N 3.04Å
862K40Very low35.6Very low184 Ų184139.3 Ų139.380%0.877%0.771SS**G310 helixtrans-10312.4-170.1-68.4-178.3178.51730115.3I860I860-K862 PolarHBondContact O-N 3.41Å
863L34.9Very low35.7Very low165 Ų165141.6 Ų141.686%0.86478%0.776SS**SBendtrans-125.229.8-174.9-78.6165.3000113.2
864S38.1Very low35.7Very low92 Ų92140.9 Ų140.964%0.64377%0.767SS**SBendtrans-134.12.7-176.152.50000116.3
865E37.7Very low35.6Very low179 Ų179141.7 Ų141.784%0.83677%0.767SS**SBendtrans-107.9-5.6-178.3-62-170.9129.400113.7
866E35.4Very low35.5Very low195 Ų195141.9 Ų141.991%0.91177%0.769SS**SBendtrans-116.159.6-171.3-157.6167.9158.100112.9
867S34.6Very low35.4Very low107 Ų107139 Ų13975%0.74877%0.768SS**SBendtrans-161.834.1168.663.10000114.8
868T33.2Very low35.1Very low118 Ų118138.4 Ų138.472%0.72477%0.769SS**  trans-14384.2177.352.80000113.1
869N36.2Very low34.7Very low161 Ų161136.6 Ų136.686%0.86177%0.765SS**  trans-166.8141.6157.7-98.9-34.2000111
870S35.2Very low34.6Very low130 Ų130136.5 Ų136.591%0.90977%0.77SS**  trans59.8139.1-175.570.80000116.3
871G33Very low34.3Very low62 Ų62136.8 Ų136.864%0.63977%0.772SS**  cis-150.3149.3-1500000108.1
872V36.3Very low33.9Very low132 Ų132139.2 Ų139.280%0.878%0.783SS**  56.4105.371.6179.60000110
873D34.2Very low33.7Very low142 Ų142136 Ų13676%0.75978%0.782SS**  cis-157.2-168.92.3-73-40.1000105.3
874D33.9Very low33.5Very low129 Ų129136.3 Ų136.369%0.6978%0.782SS**  cis-152.5178.70.9-152.3-9.4000111.6
875Q31.5Very low33Very low154 Ų154139.2 Ų139.272%0.7279%0.786SS**  trans-35.9142.3179.4-80.116394.400123.2
876L28.3Very low32.4Very low154 Ų154137.6 Ų137.681%0.80678%0.778SS**  69.6112.6123.2-164.184000121
877S33.4Very low32Very low114 Ų114136.8 Ų136.880%0.79777%0.774SS**  -179.4169.8111.346.70000112.6
878V29.4Very low31.6Very low126 Ų126136.8 Ų136.876%0.76477%0.774SS**  trans-128.5150-176-177.40000109.3
879N32.2Very low31.6Very low138 Ų138140.1 Ų140.174%0.73878%0.782SS**  trans110.9107.5170.1-59.1-34.8000114.8
880N34.1Very low31.1Very low168 Ų168139.6 Ų139.690%0.89878%0.779SS**  -170.9173.8105.2-91.5-29.5000111.2
881L29.7Very low30.7Very low141 Ų141143.1 Ų143.174%0.73878%0.778SS**  trans-137.4164.8-160.7-157.478.1000111.7
882V31.4Very low30.5Very low132 Ų132148.3 Ų148.380%0.879%0.79SS**  trans67.2156.4166.4-800000118.6
883P35.5Very low30Very low118 Ų118147.4 Ų147.477%0.76679%0.788SS**  trans-127.1164.7-142.443.3-30.3000116.1
884I29.9Very low29.8Very low171 Ų171145.4 Ų145.488%0.87779%0.785SS**  trans-136.8150.7171.6-61.6-175.8000111.6
885Q27.3Very low29.5Very low153 Ų153144.6 Ų144.672%0.71579%0.789SS**  trans-82.7165.1-178.2-63149.2-115.900114.1
886Q26.1Very low29.6Very low144 Ų144145.2 Ų145.267%0.67380%0.796SS**  trans60.9131.8143.7-75.9162.8-96.500121.9
887Q25.8Very low29.9Very low178 Ų178144.7 Ų144.783%0.83279%0.794SS**  trans60.795.8144.6-67.2179.9-5500119.8
888S26.5Very low29.9Very low107 Ų107143.9 Ų143.975%0.74879%0.788SS**  trans-164.6151.214724.90000109.3
889Q33Very low30.3Very low189 Ų189145.3 Ų145.388%0.88379%0.792SS**  cis-155.8165.1-11-120.6166.421.200110.9
890N25.6Very low30.4Very low150 Ų150144.5 Ų144.580%0.80279%0.788SS**  trans-75.8163.9165.4-75.7-32.1000111.5
891K27.9Very low30.4Very low204 Ų204144.8 Ų144.889%0.88778%0.781SS**  trans94.9112.6168.5-58.7-179175.2-177.20116.9
892L28.3Very low30.7Very low171 Ų171145.2 Ų145.290%0.89578%0.779SS**  -134.5158.3122-152.965.7000109.9
893C27Very low31Very low112 Ų112145.3 Ų145.376%0.75777%0.774SS**  trans-57.6166.8-177.5-570000114.4
894S28.9Very low31Very low100 Ų100148.2 Ų148.270%0.69977%0.774SS**  cis-177.9148.7-1848.90000109.2
895S28.7Very low31.2Very low112 Ų112145.3 Ų145.378%0.78377%0.765SS**  trans63.1119.6167-55.10000118.4
896I33.7Very low31.6Very low167 Ų167145.4 Ų145.486%0.85677%0.769SS**  -173.6144.2117.5-90.8153.7000108.7
897N34.2Very low32Very low143 Ų143142.7 Ų142.777%0.76577%0.766SS**  trans-46149.4-163.9-55.5-10.9000119.9
898S33.9Very low32.4Very low97 Ų97140.6 Ų140.668%0.67877%0.766SS**  31.9143.4122.1-350000120.8
899D36.3Very low32.9Very low157 Ų157138.8 Ų138.884%0.8476%0.764SS**  cis-152.1144.828.2-93.5-56.3000116.2
900D34.8Very low33Very low121 Ų121137.3 Ų137.365%0.64776%0.762SS**  trans18.3156.5147.8-151.917.5000126.6
901K34.3Very low33.5Very low173 Ų173140.6 Ų140.675%0.75276%0.763SS**  trans78.8146162.5-60.5174.2-173.1162.70120.8
902Q36.3Very low33.8Very low150 Ų150134.9 Ų134.970%0.70175%0.749SS**  cis-168.5175.2-37.1-136-170.573.500111
903I36.2Very low34.2Very low135 Ų135133.6 Ų133.669%0.69274%0.743SS**  trans75.3108.1163.8-65.2158.3000115.4
904K36Very low34.6Very low178 Ų178132 Ų13277%0.77473%0.733SS**  81.6142.169.6-75.8-173.3175.3176.70113.5
905T34.9Very low34.9Very low110 Ų110136.4 Ų136.468%0.67574%0.74SS**  cis-168.3153.85.611.80000114.9
906L35.2Very low34.9Very low156 Ų156141.5 Ų141.582%0.81774%0.742SS**  trans54.8176.3149.3-87.172.3000122.1
907S34.4Very low34.7Very low86 Ų86138.2 Ų138.260%0.60173%0.733SS**  167.1172.6-50.286.50000109.5
908T34.3Very low34.7Very low134 Ų134141.2 Ų141.282%0.82274%0.74SS**  cis-173.1136.7-26.728.30000110.9
909G37.8Very low34.3Very low70 Ų70142.7 Ų142.772%0.72275%0.749SS**  trans178.413416200000112.7
910N34.8Very low34.3Very low157 Ų157145.5 Ų145.584%0.8475%0.753SS**  cis79.1135.146.1-69.7-20.9000112.9
911R35Very low34.2Very low219 Ų219144.4 Ų144.483%0.82676%0.755SS**  cis-147.5153.116.4-113.2165.3-177.7159.2-2.8110.1
912S34.2Very low34.3Very low85 Ų85141.6 Ų141.659%0.59475%0.753SS**  51.7144.698.294.60000115.9
913D37Very low34.4Very low144 Ų144141.3 Ų141.377%0.7776%0.756SS**  cis-159.2142.225.1-100.1-60.6000110.5
914S35.2Very low34.6Very low77 Ų77141.4 Ų141.454%0.53876%0.758SS.*  103.3119.985.7-179.90000117.4
915K35Very low34.6Very low194 Ų194141 Ų14184%0.84376%0.757SS**  trans64.1163.7151.7-66.1166.4-163.2165.60119.2
916R28.6Very low34.8Very low219 Ų219142.6 Ų142.683%0.82677%0.766SS**  cis-169.5121.8-30.6175.9-172.8177.6178.93.5110.8
917S31.3Very low35Very low97 Ų97150.1 Ų150.168%0.67878%0.783SS**  trans41.5130.9157.873.50000122.9
918K33.5Very low35Very low207 Ų207153.3 Ų153.390%0.979%0.793SS**  -167.1151.6115.4-111173.3-177.6176.20111.9
919C26.1Very low35.1Very low128 Ų128154.3 Ų154.387%0.86579%0.791SS**  trans-109.9151.1173.8-48.70000110.2
920K34.5Very low34.9Very low215 Ų215159 Ų15994%0.93580%0.795SS**  trans-154.5158.2140.2-127.1-176.6178.8-1690111.4
921S33.3Very low34.9Very low99 Ų99159.1 Ų159.169%0.69279%0.792SS**  trans-125.4144.4-179.8171.90000108.4
922T37.5Very low34.9Very low114 Ų114155.4 Ų155.470%0.69979%0.79SS**  trans175135.8135.434.90000108.4
923D37.7Very low35Very low143 Ų143160.1 Ų160.177%0.76580%0.803SS**  34148127.7-37.2-41.2000119.9
924D40.1Very low34.8Very low138 Ų138161.2 Ų161.274%0.73881%0.805SS**  cis-150.9-161.725.2-154-24.2000112.4
925K36.8Very low34.8Very low170 Ų170167.7 Ų167.774%0.73983%0.826SS**  trans-68.7172.7-167.3-70.4151.3-174.2157.60118.5
926T39Very low34.8Very low142 Ų142165.5 Ų165.587%0.87182%0.824SS**  trans68.2122.3158.138.90000115.3
927R39Very low35.3Very low314 Ų314160.6 Ų160.6100%1.18582%0.824SS**  cis-125.8037.2-176.2177.9-175.8172.81.5114.3

Retrieved 927 of 927 residues in 1525.2 ms (Link to these results)

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